{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.7458163 0 0 ] "si-unit" "m" "si-value" [ 1.07458163e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7458163 0 ] "si-unit" "m" "si-value" [ 0.0 1.07458163e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7458163 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07458163e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.63039228442 2.6485433 2.3817393 ] [ 4.6984514364 2.0602883 0.3632915 ] [ 0.10428263252 3.7024723 0.6365344000000001 ] [ 2.26497214104 4.3373503 1.3896073 ] [ 0.432178958826 0.3467347 4.1902713 ] [ 2.34943552441 0.7078505 2.8475953 ] [ 1.944810064 3.0032843 5.1249333 ] [ 0.14166964785 3.8126313 3.8562603 ] [ 3.53047778706 4.3272873 3.9955753 ] [ 5.29282818944 3.4576103 5.2011923 ] [ 1.44399030003 0.9382018000000001 6.2299933 ] [ 4.85691426034 0.9936423 7.8140553 ] [ 3.61345836968 0.0430865 6.0798273 ] [ 1.72064122524 4.6080453 6.8217153 ] [ 5.18750024508 5.2008393 6.7618483 ] [ 0.9362983716900001 0.9676873 8.620056300000002 ] [ 2.74943117208 0.9728223000000001 10.2159763 ] [ 5.36765395045 3.7555163 9.5952353 ] [ 3.52768751484 4.5544333 8.332078300000001 ] [ 2.11157193762 7.8703653 2.0705083 ] [ 3.39853456462 6.3443863 0.7409701000000001 ] [ 2.01642854522 10.0669763 1.0022873 ] [ 1.03691108303 5.7863633 2.8237423 ] [ 0.594501663127 8.8077483 3.7058963 ] [ 4.21693933299 10.4111663 3.8279043 ] [ 3.92115738063 8.0974743 3.6241043 ] [ 1.99897368219 6.9541823 6.8661303 ] [ 0.05399985125199999 7.5134603 5.6338943 ] [ 5.15988426156 7.2518153 5.4747793 ] [ 3.73582100213 8.552062300000001 6.7599573 ] [ 0.540970309666 7.0176613 8.803051300000002 ] [ 2.89973847863 6.6789703 9.174192300000001 ] [ 4.89646859585 7.9527013 8.7021203 ] [ 4.30583526728 10.1130463 9.477583300000001 ] [ 7.84168312081 2.6966873 2.2543023 ] [ 6.02886849515 0.104893 0.2117531 ] [ 10.1285674978 2.3011743 2.3009653 ] [ 8.066494867480001 5.1844903 1.9420573 ] [ 7.73801655118 1.0806073 4.0161663 ] [ 7.15007526626 4.2086723 3.9459893 ] [ 9.019207111910001 3.8868193 5.2787383 ] [ 6.44695815021 1.5118583 6.0015583 ] [ 8.38036936764 2.4231813 7.0134143 ] [ 7.06999671548 4.2413483 7.9547283 ] [ 10.4469038569 5.0246153 7.8960023 ] [ 7.89557313072 0.439383 9.472140300000001 ] [ 8.365633612100002 2.7359463 9.3626413 ] [ 10.6689504885 3.0376633 9.145142300000002 ] [ 5.90675851139 8.096836300000001 2.4096163 ] [ 6.3948298781 5.3712863 0.2308239 ] [ 5.40521207524 7.4696243 0.2258559 ] [ 10.1873685741 5.8828213 1.1240493 ] [ 6.33062838843 10.4216663 2.6369273 ] [ 9.570826217150001 8.518025300000001 2.1835613 ] [ 10.4445247054 10.4368063 1.0591543 ] [ 7.88842304849 7.2200513 3.2928043 ] [ 8.247550902310001 9.489265300000001 4.0459903 ] [ 8.13043379956 7.5664853 7.6916833 ] [ 9.10033604674 6.0173143 6.2341493 ] [ 6.96691004229 8.6919243 5.9605783 ] [ 6.78446260319 10.4535363 7.5206113 ] [ 10.1776499462 8.7066633 7.5881043 ] [ 7.98100523705 5.9216803 9.376565300000001 ] [ 10.0615685932 10.1980863 9.479536300000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.63039228442e-10 2.6485433000000003e-10 2.3817393e-10 ] [ 4.698451436400001e-10 2.0602883e-10 3.632915e-11 ] [ 1.0428263252e-11 3.7024723e-10 6.365344e-11 ] [ 2.26497214104e-10 4.3373503e-10 1.3896073e-10 ] [ 4.32178958826e-11 3.467347e-11 4.1902713000000004e-10 ] [ 2.34943552441e-10 7.078505000000001e-11 2.8475953000000003e-10 ] [ 1.944810064e-10 3.0032842999999997e-10 5.124933300000001e-10 ] [ 1.4166964785000001e-11 3.8126313e-10 3.8562603000000004e-10 ] [ 3.5304777870600003e-10 4.3272873000000004e-10 3.9955753e-10 ] [ 5.29282818944e-10 3.4576103e-10 5.2011923e-10 ] [ 1.44399030003e-10 9.382018e-11 6.2299933e-10 ] [ 4.85691426034e-10 9.936423e-11 7.8140553e-10 ] [ 3.61345836968e-10 4.30865e-12 6.0798273e-10 ] [ 1.72064122524e-10 4.6080452999999997e-10 6.8217153e-10 ] [ 5.18750024508e-10 5.200839300000001e-10 6.761848299999999e-10 ] [ 9.362983716900001e-11 9.676873000000001e-11 8.620056300000002e-10 ] [ 2.74943117208e-10 9.728223000000002e-11 1.02159763e-09 ] [ 5.36765395045e-10 3.7555163000000003e-10 9.5952353e-10 ] [ 3.5276875148400005e-10 4.5544333000000003e-10 8.332078300000001e-10 ] [ 2.11157193762e-10 7.8703653e-10 2.0705083000000003e-10 ] [ 3.39853456462e-10 6.3443863e-10 7.409701000000001e-11 ] [ 2.0164285452200002e-10 1.00669763e-09 1.0022873000000002e-10 ] [ 1.0369110830299999e-10 5.7863633e-10 2.8237423e-10 ] [ 5.945016631270001e-11 8.807748300000001e-10 3.7058963e-10 ] [ 4.2169393329900003e-10 1.04111663e-09 3.8279043000000003e-10 ] [ 3.9211573806300003e-10 8.0974743e-10 3.6241043e-10 ] [ 1.99897368219e-10 6.9541823e-10 6.8661303e-10 ] [ 5.399985125199999e-12 7.513460300000001e-10 5.6338943e-10 ] [ 5.15988426156e-10 7.2518153e-10 5.4747793e-10 ] [ 3.73582100213e-10 8.552062300000001e-10 6.7599573e-10 ] [ 5.40970309666e-11 7.017661300000001e-10 8.803051300000002e-10 ] [ 2.89973847863e-10 6.678970299999999e-10 9.174192300000002e-10 ] [ 4.89646859585e-10 7.9527013e-10 8.702120300000001e-10 ] [ 4.30583526728e-10 1.0113046300000002e-09 9.4775833e-10 ] [ 7.84168312081e-10 2.6966873e-10 2.2543023e-10 ] [ 6.02886849515e-10 1.04893e-11 2.1175310000000002e-11 ] [ 1.01285674978e-09 2.3011743e-10 2.3009653e-10 ] [ 8.066494867480001e-10 5.1844903e-10 1.9420573000000002e-10 ] [ 7.738016551180001e-10 1.0806073000000001e-10 4.0161663000000004e-10 ] [ 7.15007526626e-10 4.2086723000000003e-10 3.9459893e-10 ] [ 9.019207111910002e-10 3.8868193e-10 5.2787383e-10 ] [ 6.446958150210001e-10 1.5118583e-10 6.001558300000001e-10 ] [ 8.38036936764e-10 2.4231813e-10 7.0134143e-10 ] [ 7.069996715480001e-10 4.2413483e-10 7.9547283e-10 ] [ 1.0446903856900001e-09 5.0246153e-10 7.8960023e-10 ] [ 7.89557313072e-10 4.3938300000000006e-11 9.472140300000003e-10 ] [ 8.365633612100002e-10 2.7359463000000003e-10 9.3626413e-10 ] [ 1.0668950488500001e-09 3.0376633e-10 9.145142300000002e-10 ] [ 5.90675851139e-10 8.096836300000002e-10 2.4096163000000004e-10 ] [ 6.394829878100001e-10 5.371286300000001e-10 2.308239e-11 ] [ 5.40521207524e-10 7.4696243e-10 2.258559e-11 ] [ 1.0187368574100001e-09 5.8828213e-10 1.1240493000000001e-10 ] [ 6.330628388430001e-10 1.04216663e-09 2.6369273e-10 ] [ 9.570826217150002e-10 8.518025300000002e-10 2.1835613e-10 ] [ 1.04445247054e-09 1.0436806300000002e-09 1.0591543000000002e-10 ] [ 7.88842304849e-10 7.2200513e-10 3.2928043e-10 ] [ 8.247550902310001e-10 9.489265300000002e-10 4.0459903e-10 ] [ 8.130433799560001e-10 7.5664853e-10 7.6916833e-10 ] [ 9.100336046740001e-10 6.0173143e-10 6.234149300000001e-10 ] [ 6.966910042290001e-10 8.6919243e-10 5.960578300000001e-10 ] [ 6.78446260319e-10 1.04535363e-09 7.5206113e-10 ] [ 1.01776499462e-09 8.706663300000001e-10 7.5881043e-10 ] [ 7.98100523705e-10 5.9216803e-10 9.3765653e-10 ] [ 1.00615685932e-09 1.0198086300000001e-09 9.4795363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9176861 -0.0268996 -1.4227089 ] [ -0.0011044 0.5253869 -0.6376887 ] [ 1.378516 -0.3796322 -1.4047782 ] [ 0.8765317 -0.3251494 -0.7073116 ] [ -0.9747249 2.7530478 -2.6605538 ] [ 0.8528542 0.2550982 0.040489 ] [ -1.3504515 1.09031 0.8221867 ] [ 0.322996 -0.3487712 1.3176638 ] [ 0.4973571 -0.8091013 0.6767394 ] [ 1.0146861 0.8279705 -0.0512999 ] [ 0.6273403 0.2088261 0.5354619 ] [ -1.5027352 0.1866527 -0.1660721 ] [ -0.6612774 -0.5483142 0.1461029 ] [ 0.7201465 -1.1566608 -0.2111463 ] [ 0.4943059 -0.3177613 -0.6691466 ] [ 0.1234234 1.0437627 -0.4128282 ] [ -0.6264631 -1.0658435 -0.6038416 ] [ -0.7485353 -0.4374414 1.0673918 ] [ 0.1968801 0.3411199 0.066556 ] [ 1.0105797 0.1223891 0.9922425 ] [ -1.3990925 0.2109446 -0.5135923 ] [ -0.6744644 0.3000312 0.6010985 ] [ -0.2065827 0.3494939 0.2538034 ] [ -0.9369949 -0.9626027 0.6263454 ] [ -0.2706879 0.5316646 0.3102584 ] [ 0.2553006 -0.4318335 -0.2184455 ] [ 0.1449176 0.7690004 -1.5896572 ] [ 1.1083042 1.0530931 -1.2187624 ] [ 0.1171299 -0.2766866 0.5549205 ] [ -0.3070385 -0.1858734 -0.4449144 ] [ -0.5550166 0.2249747 1.1560083 ] [ 0.8566924 -0.5786837 1.0735223 ] [ -0.4888225 0.9737169 0.8515841 ] [ 1.1455076 0.3213741 0.0035132 ] [ 0.2497887 -1.0450794 -0.263689 ] [ 1.0543926 0.3181183 1.0481945 ] [ 2.0574426 -8.7104301 -0.5107957 ] [ -0.8834857 1.1752104 -0.8470385 ] [ -0.7556281 0.5183753 0.2051785 ] [ -0.4833656 -0.2159921 1.1592627 ] [ 0.0715291 0.8208112 0.0030502 ] [ 0.6338371 1.2417812 -1.3053479 ] [ 0.2031694 0.0764087 -1.9173232 ] [ -0.5034937 0.930874 0.4231851 ] [ 0.2109764 -0.6770758 0.2952576 ] [ -0.1403294 -0.6518956 0.3985475 ] [ 0.3043555 -1.0551826 0.8763466 ] [ -0.5237846 0.2235727 0.9520752 ] [ 0.125377 0.2316094 -0.5340926 ] [ 0.8724729 0.430295 0.3619978 ] [ 0.2842551 -0.9949199 0.6662651 ] [ -2.0893871 3.3818824 1.3347291 ] [ -1.0799673 -0.0012566 -1.1824231 ] [ 1.6186307 -2.5056269 -1.6683867 ] [ -0.8745564 4.046725 1.7380563 ] [ -0.9173753 -1.8842161 -0.6362636 ] [ -0.1963008 0.0219715 1.0131169 ] [ -0.4143423 0.1634033 -0.0688666 ] [ 0.2007447 -0.8386465 -0.4005934 ] [ 0.4404216 -0.3165266 0.3995401 ] [ 1.1060695 -0.9337771 0.1805094 ] [ -0.4504675 0.6941149 1.6124888 ] [ 0.2160742 0.3496828 -0.9054089 ] [ -0.4588447 0.9681866 -0.5907128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4702952146531308e-09 -4.309791022887168e-11 -2.279430937784085e-09 ] [ -1.76944386001152e-12 8.417626080545876e-10 -1.021689926488345e-09 ] [ 2.208626106598733e-09 -6.082378353428697e-10 -2.2507027894495067e-09 ] [ 1.4043585971300794e-09 -5.209467669471475e-10 -1.1332381091406414e-09 ] [ -1.561681446491618e-09 4.410868821104875e-09 -4.262677096740599e-09 ] [ 1.3664230601910875e-09 4.0871237204816257e-10 6.48705291995712e-11 ] [ -2.163661820824291e-09 1.746869191424448e-09 1.3172883086727035e-09 ] [ 5.174966398119169e-10 -5.58793062648361e-10 2.111130134434487e-09 ] [ 7.968539178088877e-10 -1.296323186718887e-09 1.0842560450542196e-09 ] [ 1.625706346870731e-09 1.3265549778120866e-09 -8.219150042937793e-11 ] [ 1.0051099619456581e-09 3.3457629523284285e-10 8.579045375091476e-10 ] [ -2.4076472046932123e-09 2.990505921491962e-10 -2.660768359871597e-10 ] [ -1.05948319014341e-09 -8.784961920926554e-10 2.3408265061108035e-10 ] [ 1.1538018858509473e-09 -1.8531748919558247e-09 -3.3829366542842307e-10 ] [ 7.919653565035028e-10 -5.091097258550151e-10 -1.0720910384078093e-09 ] [ 1.9774608593964672e-10 1.6722921956030843e-09 -6.614236904469465e-10 ] [ -1.0037045326138927e-09 -1.7076695371316447e-09 -9.674608941864652e-10 ] [ -1.1992857575035144e-09 -7.008583840500212e-10 1.7101501871936295e-09 ] [ 3.154366933207661e-10 5.465343286696339e-10 1.066344671739648e-10 ] [ 1.619127168795078e-09 1.960889546607533e-10 1.589747735664144e-09 ] [ -2.241593293836624e-09 3.379705064040077e-10 -8.228655756828998e-10 ] [ -1.0806110932418994e-09 4.80702974150569e-10 9.630659634979488e-10 ] [ -3.309819722017402e-10 5.599509556922132e-10 4.0663787375955075e-10 ] [ -1.5012313225888339e-09 -1.5422595410589562e-09 1.0035159564256244e-09 ] [ -4.336898249134483e-10 8.518205922269837e-10 4.970887548868147e-10 ] [ 4.0903665259621247e-10 -6.918735377782368e-10 -3.499882730189664e-10 ] [ 2.321835906624461e-10 1.2320744622658484e-09 -2.5469116009263897e-09 ] [ 1.7756990779744475e-09 1.6872411443457964e-09 -1.952672623590098e-09 ] [ 1.8766278737664192e-10 -4.433008018086413e-10 8.890806515026465e-10 ] [ -4.919299063855008e-10 -2.978020159086067e-10 -7.128314499372595e-10 ] [ -8.892346206759052e-10 3.604492046114938e-10 1.8521294717107528e-09 ] [ 1.372572534497042e-09 -9.27153494978041e-10 1.719972330967444e-09 ] [ -7.83179981221008e-10 1.5600664524578517e-09 1.3643881356650093e-09 ] [ 1.835305495668718e-09 5.148980695506413e-10 5.628766904194561e-12 ] [ 4.00205615280025e-10 -1.6744017815596918e-09 -4.2247635096213125e-10 ] [ 1.689323172864526e-09 5.096817029086407e-10 1.6793927219511456e-09 ] [ 3.296386432357966e-09 -1.3955647463332607e-08 -8.183849285451705e-10 ] [ -1.4155001333511226e-09 1.8828946274010163e-09 -1.357105281617501e-09 ] [ -1.2106496758395245e-09 8.305287864601863e-10 3.287321957908128e-10 ] [ -7.744370636189645e-10 -3.460574928974957e-10 1.8573435953054841e-09 ] [ 1.1460225172686528e-10 1.315084514730793e-09 4.88695912876416e-12 ] [ 1.0155189830156718e-09 1.9895528067889687e-09 -2.0913978873903762e-09 ] [ 3.255132627419635e-10 1.2242023276572097e-10 -3.0718904055574427e-09 ] [ -8.066858348600891e-10 1.4914245597105793e-09 6.780172734909101e-10 ] [ 3.3802145562054914e-10 -1.0847950172694567e-09 4.730548238335181e-10 ] [ -2.2483248389089152e-10 -1.0444518895223886e-09 6.38543486778288e-10 ] [ 4.876312665118944e-10 -1.690588892394958e-09 1.4040620342375693e-09 ] [ -8.391954404550797e-10 3.582029529891322e-10 1.5253926266834842e-09 ] [ 2.008760981860416e-10 3.7107916583751554e-10 -8.557106770622861e-10 ] [ 1.3978556826615764e-09 6.89408589047136e-10 5.799844119410342e-10 ] [ 4.5542687556316605e-10 -1.5940374033486738e-09 1.0674743664749742e-09 ] [ -3.347567163421112e-09 5.4183729155749935e-09 2.1384717591214254e-09 ] [ -1.7302983592885e-09 -2.0132951416972804e-12 -1.894450646713861e-09 ] [ 2.5933322652491388e-09 -4.01445683962758e-09 -2.6730501651936635e-09 ] [ -1.4011938176510133e-09 6.483568185806881e-09 2.7846731694941513e-09 ] [ -1.4697972581593863e-09 -3.0188469839549548e-09 -1.019406664586043e-09 ] [ -3.1450855240433666e-10 3.52022236239072e-11 1.6231922113173715e-09 ] [ -6.638495460684999e-10 2.6180094702156866e-10 -1.1033645647398528e-10 ] [ 3.2162846508950977e-10 -1.3436598154157472e-09 -6.418213799267827e-10 ] [ 7.056331908153293e-10 -5.071315183813132e-10 6.401338072920941e-10 ] [ 1.7721186938799457e-09 -1.4960758386584238e-09 2.892079405146355e-10 ] [ -7.217284969302241e-10 1.11209466492893e-09 2.583491856661847e-09 ] [ 3.4618903159806336e-10 5.602536068558823e-10 -1.4506249718442452e-09 ] [ -7.351502509179898e-10 1.5512059350918413e-09 -9.464262377673064e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -246.28939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945991026090933e-17 } }