{ "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" [ 10.7327914 0 0 ] "si-unit" "m" "si-value" [ 1.07327914e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7327914 0 ] "si-unit" "m" "si-value" [ 0.0 1.07327914e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7327914 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07327914e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.4851904 1.3673034 1.2350684 ] [ 5.1098584 0.391309 2.0668944 ] [ 2.2074374 3.5443774 1.6548264 ] [ 0.4733257 4.7047024 0.6012469 ] [ 3.4976044 5.376051400000001 2.2650654 ] [ 3.7378754 4.4575084 0.1093202 ] [ 1.9374964 0.7524193 3.4520224 ] [ 4.0689434 1.7690964 3.7096284 ] [ 1.7487804 4.3016584 4.7111444 ] [ 5.045244400000001 3.8312714 3.0870004 ] [ 4.4971084 1.4735354 6.0859554 ] [ 0.1838645 4.2454964 6.6218564 ] [ 5.0690624 4.7909894 7.3972864 ] [ 3.3635774 3.5702614 6.2418914 ] [ 1.8469694 1.0887284 8.4602704 ] [ 0.2425154 1.6757774 10.0220614 ] [ 2.9573704 0.5943366 10.4235314 ] [ 1.9076524 3.4537014 8.042707400000001 ] [ 1.9039444 5.308970400000001 9.5873674 ] [ 0.9960664 6.7121524 1.6033934 ] [ 2.6646384 9.2120044 0.5704916 ] [ 4.9621844 9.0456654 0.9388683999999999 ] [ 1.0963134 7.539913400000001 3.7679034 ] [ 2.5374774 6.4301314 5.1815474 ] [ 2.6015304 9.2314534 3.0463754 ] [ 4.0203924 9.2940614 4.972350400000001 ] [ 4.8000794 8.088298400000001 3.0884344 ] [ 0.8644005 6.5580284 6.798599400000001 ] [ 5.2754914 7.7810034 6.285929400000001 ] [ 2.2806214 8.3727544 7.2865574 ] [ 0.6325666 9.9704814 7.543174400000001 ] [ 2.0629604 7.7291324 9.5089434 ] [ 5.128071400000001 7.973440400000001 8.6664704 ] [ 5.6260984 1.6204474 0.1710171 ] [ 9.149013400000001 1.1575224 2.0485174 ] [ 9.6699114 -0.13302536 0.03002894 ] [ 5.907448400000001 3.7889764 0.9074671 ] [ 8.2324964 3.8137954 1.2738644 ] [ 7.190857400000001 0.3023226 3.0506494 ] [ 6.529689400000001 0.517415 5.2922754 ] [ 10.3826614 0.7052706 4.023844400000001 ] [ 6.865763400000001 3.8785584 4.6256524 ] [ 10.4352114 3.1084124 4.4689044 ] [ 8.7774664 4.4877424 3.4414544 ] [ 7.8272724 2.2741524 6.081146400000001 ] [ 6.0464754 2.6299584 7.6209784 ] [ 7.543345400000001 0.633082 9.9872114 ] [ 8.2548904 2.3037004 8.4341974 ] [ 9.4353324 4.3747334 8.6132984 ] [ 9.5708454 7.512324400000001 1.4182624 ] [ 10.2525514 9.779482400000001 2.1908034 ] [ 8.5682214 6.8451994 3.4184494 ] [ 10.0187414 7.2880854 5.2264964 ] [ 7.0817454 8.702444400000001 3.2967874 ] [ 7.995483399999999 5.9919744 7.720570400000001 ] [ 6.5289694 5.820305400000001 5.891803400000001 ] [ 7.1516054 9.021255400000001 5.5859474 ] [ 9.4468914 9.3166394 6.2028964 ] [ 6.188018400000001 5.9252944 9.2222104 ] [ 6.706146400000001 7.9367134 10.4783414 ] [ 8.837541400000001 8.1484384 8.1346154 ] [ 9.1020144 5.5530314 10.7186614 ] [ 6.972731400000001 9.4575314 8.7105534 ] [ 10.6697814 8.8067644 9.4536314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4851904e-10 1.3673034e-10 1.2350684e-10 ] [ 5.109858400000001e-10 3.91309e-11 2.0668944e-10 ] [ 2.2074374e-10 3.5443774000000003e-10 1.6548264e-10 ] [ 4.7332570000000003e-11 4.704702400000001e-10 6.012469e-11 ] [ 3.4976044000000004e-10 5.3760514e-10 2.2650654000000002e-10 ] [ 3.7378754e-10 4.4575084e-10 1.0932020000000001e-11 ] [ 1.9374964e-10 7.524193e-11 3.4520224e-10 ] [ 4.0689434000000003e-10 1.7690964e-10 3.7096284e-10 ] [ 1.7487804e-10 4.3016584e-10 4.711144400000001e-10 ] [ 5.045244400000002e-10 3.8312714e-10 3.0870004e-10 ] [ 4.4971084e-10 1.4735354000000001e-10 6.085955399999999e-10 ] [ 1.838645e-11 4.2454964000000005e-10 6.621856400000001e-10 ] [ 5.069062400000001e-10 4.7909894e-10 7.3972864e-10 ] [ 3.3635774000000003e-10 3.5702614000000003e-10 6.2418914e-10 ] [ 1.8469694e-10 1.0887283999999999e-10 8.460270400000001e-10 ] [ 2.425154e-11 1.6757774000000002e-10 1.00220614e-09 ] [ 2.9573704e-10 5.943366e-11 1.04235314e-09 ] [ 1.9076524e-10 3.4537014e-10 8.042707400000001e-10 ] [ 1.9039444e-10 5.3089704e-10 9.5873674e-10 ] [ 9.960664e-11 6.7121524e-10 1.6033934000000002e-10 ] [ 2.6646383999999997e-10 9.2120044e-10 5.704916e-11 ] [ 4.9621844e-10 9.045665400000001e-10 9.388684e-11 ] [ 1.0963134000000001e-10 7.539913400000002e-10 3.7679034e-10 ] [ 2.5374774000000004e-10 6.4301314e-10 5.1815474e-10 ] [ 2.6015304e-10 9.2314534e-10 3.0463754e-10 ] [ 4.0203924000000007e-10 9.294061400000001e-10 4.972350400000001e-10 ] [ 4.800079400000001e-10 8.088298400000001e-10 3.0884344e-10 ] [ 8.644005e-11 6.558028400000001e-10 6.798599400000002e-10 ] [ 5.2754914e-10 7.781003400000001e-10 6.285929400000002e-10 ] [ 2.2806213999999998e-10 8.3727544e-10 7.286557400000001e-10 ] [ 6.325666e-11 9.970481400000002e-10 7.543174400000001e-10 ] [ 2.0629604000000002e-10 7.7291324e-10 9.5089434e-10 ] [ 5.128071400000002e-10 7.973440400000002e-10 8.6664704e-10 ] [ 5.6260984e-10 1.6204474e-10 1.7101710000000003e-11 ] [ 9.149013400000002e-10 1.1575224e-10 2.0485174000000002e-10 ] [ 9.6699114e-10 -1.3302536000000002e-11 3.0028940000000002e-12 ] [ 5.907448400000001e-10 3.7889764000000004e-10 9.074671e-11 ] [ 8.232496400000001e-10 3.8137954e-10 1.2738644e-10 ] [ 7.190857400000002e-10 3.023226e-11 3.0506494e-10 ] [ 6.529689400000002e-10 5.17415e-11 5.2922754e-10 ] [ 1.03826614e-09 7.052706e-11 4.023844400000001e-10 ] [ 6.865763400000002e-10 3.8785584e-10 4.6256524000000003e-10 ] [ 1.04352114e-09 3.1084124000000003e-10 4.4689044000000004e-10 ] [ 8.7774664e-10 4.4877424e-10 3.4414544e-10 ] [ 7.827272400000001e-10 2.2741524000000002e-10 6.081146400000001e-10 ] [ 6.046475400000001e-10 2.6299584e-10 7.620978400000001e-10 ] [ 7.543345400000001e-10 6.330820000000001e-11 9.9872114e-10 ] [ 8.254890400000001e-10 2.3037004e-10 8.4341974e-10 ] [ 9.435332400000001e-10 4.3747334000000003e-10 8.6132984e-10 ] [ 9.5708454e-10 7.512324400000001e-10 1.4182624e-10 ] [ 1.02525514e-09 9.779482400000001e-10 2.1908034000000002e-10 ] [ 8.568221400000001e-10 6.845199400000001e-10 3.4184494e-10 ] [ 1.00187414e-09 7.2880854e-10 5.2264964e-10 ] [ 7.0817454e-10 8.702444400000001e-10 3.2967874e-10 ] [ 7.995483399999998e-10 5.9919744e-10 7.720570400000001e-10 ] [ 6.5289694e-10 5.820305400000001e-10 5.891803400000001e-10 ] [ 7.151605400000001e-10 9.021255400000002e-10 5.585947400000001e-10 ] [ 9.4468914e-10 9.3166394e-10 6.202896400000001e-10 ] [ 6.188018400000001e-10 5.9252944e-10 9.2222104e-10 ] [ 6.706146400000001e-10 7.936713400000001e-10 1.04783414e-09 ] [ 8.837541400000001e-10 8.1484384e-10 8.134615399999999e-10 ] [ 9.1020144e-10 5.553031400000001e-10 1.0718661400000001e-09 ] [ 6.972731400000001e-10 9.4575314e-10 8.7105534e-10 ] [ 1.06697814e-09 8.806764400000001e-10 9.4536314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0157973 0.6720001 1.1247018 ] [ 0.1854526 0.2915927 -0.3195008 ] [ -2.4123246 -2.2334214 1.2425576 ] [ -0.1393944 -0.8207676 -0.2162092 ] [ -4.9707815 6.2948898 1.062301 ] [ 1.0808052 0.1839894 -3.1970801 ] [ 0.2785869 -0.5512753 0.1326948 ] [ -0.1900642 0.3220774 0.2551176 ] [ 0.8787639 -0.5321687 -1.5966148 ] [ 0.7837168 -0.5226474 1.1519671 ] [ -0.733338 -0.7805928 -0.104004 ] [ -0.8725604 -0.3498593 1.3053208 ] [ -0.0631856 -0.1357143 0.3198527 ] [ 0.5596458 -0.0313649 0.4220599 ] [ 0.0856083 0.2023383 -1.4026224 ] [ 1.4980279 -0.7259446 -0.0597498 ] [ 2.0860138 2.3843324 0.0021137 ] [ -0.1819029 -0.1086329 0.1609281 ] [ 0.2775039 0.4125026 -0.7247419 ] [ 6.5492325 -2.5676687 1.1647373 ] [ -0.5892987 -0.8271513 -0.2431259 ] [ -0.0544427 -0.4966854 0.0257234 ] [ 0.5208713 0.9005 -0.063136 ] [ 1.339088 3.7658786 3.2536171 ] [ -1.6470394 0.7685516 -1.419275 ] [ -0.6624994 1.3067464 2.8571917 ] [ 1.4328983 -2.2131293 -1.1594046 ] [ -0.9149769 -1.0485655 0.9402322 ] [ -0.3990533 -0.0709158 0.9873339 ] [ 2.1719787 -2.6305828 -4.824543 ] [ 0.1072875 1.1205216 -0.5164022 ] [ 0.4709629 -1.1988609 1.0444309 ] [ -3.4392451 0.3347077 -2.0577993 ] [ -3.7195905 -1.5373873 -0.658059 ] [ -2.4073879 5.0143405 -1.3004471 ] [ -0.3143839 -0.2564034 -0.712564 ] [ 0.7294643 -0.4279707 -0.2242686 ] [ 1.0131444 -2.7802227 1.0158426 ] [ -0.2363968 0.371408 -0.2738604 ] [ 0.2853963 0.1563164 0.2669059 ] [ 0.2820023 0.6005516 1.7641833 ] [ 0.3074853 0.7004386 -0.3465642 ] [ -1.0137041 -0.2990281 -0.3773766 ] [ -0.3246999 -0.7271252 -0.1254073 ] [ 1.3260399 -0.4123217 -1.7236137 ] [ -2.5839944 0.2095766 0.57913 ] [ 0.0864783 0.1499892 -0.7780822 ] [ 1.5209482 0.205758 1.6133089 ] [ 0.2866314 -0.4503324 -0.6893518 ] [ -0.8811005 0.5673854 -0.2305135 ] [ 1.1792433 -2.6405639 0.2328619 ] [ 0.1516287 -0.2657071 -0.0119265 ] [ -0.9147737 0.2504885 -0.1013956 ] [ -0.0050323 -0.5812439 -0.5619275 ] [ 0.7205376 -0.1014299 0.2939964 ] [ 0.2206636 0.0071607 -0.8341008 ] [ 0.0999314 0.1590344 0.6949066 ] [ 0.3857513 0.4033302 -0.7787748 ] [ -0.1223497 -1.5402284 0.7470711 ] [ 1.6685977 -0.1450265 3.1264205 ] [ -0.2862608 -0.0772718 0.1247317 ] [ -0.701149 0.3780083 -0.4645063 ] [ 1.0084252 1.8838257 -0.8855107 ] [ -0.7820857 0.0699713 1.0702189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5310064731763842e-11 1.076662849395262e-09 1.8019709293316775e-09 ] [ 2.971278199865741e-10 4.671830067359482e-10 -5.118967120868966e-10 ] [ -3.864970075900711e-09 -3.5783355514744053e-09 1.9907967367173583e-09 ] [ -2.2333444875044353e-10 -1.3150146598301261e-09 -3.4640532544187136e-10 ] [ -7.964069906405156e-09 1.0085525268072388e-08 1.7019938264524607e-09 ] [ 1.7316408230790681e-09 2.947835151550195e-10 -5.122286991044926e-09 ] [ 4.463454180411476e-10 -8.832403972845063e-10 2.1260050626173185e-10 ] [ -3.0451641769105537e-10 5.160248803680499e-10 4.087434542746061e-10 ] [ 1.4079349757830293e-09 -8.52628249461529e-10 -2.558058904983268e-09 ] [ 1.2556527342881896e-09 -8.373734452019059e-10 1.8456547555507759e-09 ] [ -1.1749369987442306e-09 -1.2506475345248103e-09 -1.666327772696832e-10 ] [ -1.3979958731158965e-09 -5.605363910294534e-10 2.0913544684039526e-09 ] [ -1.0123449109122048e-10 -2.1743827856823746e-10 5.124605180397561e-10 ] [ 8.966514166889127e-10 -5.0252109493729926e-11 6.762145043571859e-10 ] [ 1.3715961680643265e-10 3.2418169375241664e-10 -2.247248817090386e-09 ] [ 2.4001052786861203e-09 -1.1630914661160079e-09 -9.572973265747584e-11 ] [ 3.342162541026167e-09 3.820121627495954e-09 3.38652072338496e-12 ] [ -2.914405736357203e-10 -1.7404909262970432e-10 2.578352394497645e-10 ] [ 4.446102607608212e-10 6.609020217392141e-10 -1.1611645282941717e-09 ] [ 1.0493027195683535e-08 -4.113858761099929e-09 1.866114871433716e-09 ] [ -9.441605998078329e-10 -1.3252424747243272e-09 -3.895306328909587e-10 ] [ -8.722682111322815e-11 -7.957777357726964e-10 4.121343008748672e-11 ] [ 8.345278193057031e-10 1.4427600470304e-09 -1.011550231308288e-10 ] [ 2.1454554867938307e-09 6.033602649691035e-09 5.212869250655096e-09 ] [ -2.6388480202164596e-09 1.2313554053984333e-09 -2.2739292234859203e-09 ] [ -1.0614410499740275e-09 2.093638531394565e-09 4.577725742883807e-09 ] [ 2.2957561562440646e-09 -3.5458240232674695e-09 -1.8575709441679758e-09 ] [ -1.4659545977520595e-09 -1.6799871294774625e-09 1.5064180489633498e-09 ] [ -6.393538677130886e-10 -1.1361963680532865e-10 1.581883291503285e-09 ] [ 3.479893494015577e-09 -4.214658261238602e-09 -7.729770000644296e-09 ] [ 1.7189352420408e-10 1.7952735106214094e-09 -8.273675317696859e-10 ] [ 7.545657476441684e-10 -1.9207869055712465e-09 1.6733627700211029e-09 ] [ -5.510278092420958e-09 5.362608517417402e-10 -3.2969579287586056e-09 ] [ -5.959440938049783e-09 -2.463165989174836e-09 -1.054326744907027e-09 ] [ -3.857060610576808e-09 8.033859117830584e-09 -2.0835459402071595e-09 ] [ -5.036985345359251e-10 -4.1080353297363073e-10 -1.1416533816237312e-09 ] [ 1.1687306471682375e-09 -6.856846499274105e-10 -3.593179076995469e-10 ] [ 1.6232362711744436e-09 -4.454407810557452e-09 1.6275592641326863e-09 ] [ -3.7874942619193343e-10 5.950612143780865e-10 -4.3877273024293637e-10 ] [ 4.57255279522823e-10 2.504464815276211e-10 4.276303929335827e-10 ] [ 4.5181749207182784e-10 9.621897331040333e-10 2.826533238065793e-09 ] [ 4.926457588996743e-10 1.1222263492258829e-09 -5.552570588462553e-10 ] [ -1.6241330094291054e-09 -4.790958307822445e-10 -6.046239657569933e-10 ] [ -5.202265885560979e-10 -1.1649829958345242e-09 -2.0092464413765186e-10 ] [ 2.12455012602797e-09 -6.606121879885114e-10 -2.7615335734305852e-09 ] [ -4.140015415958123e-09 3.357787287867533e-10 9.278685464039041e-10 ] [ 1.3855351046652862e-10 2.4030918961249533e-10 -1.2466251099006298e-09 ] [ 2.4368276474878428e-09 3.2966065714256643e-10 2.5848058017085653e-09 ] [ 4.5923412786717313e-10 -7.21512042868754e-10 -1.1044633374663974e-09 ] [ -1.4116786216751903e-09 9.090516228632564e-10 -3.6932334047878084e-10 ] [ 1.8893560454950405e-09 -4.230649746308469e-09 3.7308589205506757e-10 ] [ 2.4293595818229695e-10 -4.2570970360056767e-10 -1.91083594679712e-11 ] [ -1.465629035462713e-09 4.013268184792608e-10 -1.624536597719885e-10 ] [ -8.06263340885184e-12 -9.312553875626133e-10 -9.00307103084592e-10 ] [ 1.1544284971273422e-09 -1.6250861443008194e-10 4.710341586793651e-10 ] [ 3.535420609815629e-10 1.147270612856256e-11 -1.3363768011505767e-09 ] [ 1.6010775276381312e-10 2.548011975829555e-10 1.1133631081596174e-09 ] [ 6.180417143032071e-10 6.462062169025882e-10 -1.2477347774281958e-09 ] [ -1.9602582890189378e-10 -2.467717933172191e-09 1.1969398504953389e-09 ] [ 2.6733882244606525e-09 -2.3235806769645122e-10 5.009077831889847e-09 ] [ -4.5864036121150463e-10 -1.2380307140713344e-10 1.9984221361263936e-10 ] [ -1.1233645354972993e-09 6.056360607283527e-10 -7.44221134074311e-10 ] [ 1.6156752792655643e-09 3.0182214942021947e-09 -1.4187445410082426e-09 ] [ -1.2530394240020025e-09 1.1210638098698305e-10 1.714679700718293e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -258.62697 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.14366084842343e-17 } }