{ "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" [ 10.5856 0 0 ] "si-unit" "m" "si-value" [ 1.05856e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.4462 9.06493 0 ] "si-unit" "m" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.279622 0.188792 10.3176 ] "si-unit" "m" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 ] [ 2.34792e-10 -5.68394e-12 2.50299e-10 ] [ 2.16376e-10 2.5261e-11 4.92835e-10 ] [ 2.29899e-10 1.74675e-11 7.95102e-10 ] [ 1.22435e-10 2.52218e-10 -1.06384e-11 ] [ 9.573e-11 2.48507e-10 2.89269e-10 ] [ 1.19859e-10 2.5471e-10 5.01782e-10 ] [ 1.1026499999999999e-10 2.5116399999999997e-10 7.82102e-10 ] [ 2.6580900000000003e-11 4.85078e-10 8.773760000000001e-13 ] [ -2.0871100000000003e-11 4.43865e-10 2.5349700000000003e-10 ] [ 1.76284e-11 4.84074e-10 4.94991e-10 ] [ -2.5392e-11 4.74744e-10 7.764770000000001e-10 ] [ -1.65563e-10 6.92317e-10 9.57015e-12 ] [ -1.4574700000000001e-10 6.84972e-10 2.45262e-10 ] [ -1.68993e-10 7.06359e-10 5.38303e-10 ] [ -1.59978e-10 7.00696e-10 7.18415e-10 ] [ 5.06785e-10 9.23991e-12 1.78855e-11 ] [ 4.8986e-10 1.1394000000000001e-11 2.76417e-10 ] [ 5.447560000000001e-10 1.54347e-11 5.525159999999999e-10 ] [ 4.812109999999999e-10 3.07407e-11 7.61283e-10 ] [ 4.0923400000000003e-10 2.51394e-10 -2.80987e-12 ] [ 3.66159e-10 2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 4.85785e-10 3.31316e-11 ] [ 5.18105e-10 4.71119e-10 2.66831e-10 ] [ 5.113470000000001e-10 4.91069e-10 5.65221e-10 ] [ 5.262590000000001e-10 5.22511e-10 8.025510000000001e-10 ] [ 3.84325e-10 6.898500000000001e-10 2.90269e-11 ] [ 3.8973e-10 7.018220000000001e-10 2.77996e-10 ] [ 3.85324e-10 7.1029e-10 5.03452e-10 ] [ 3.69095e-10 7.15117e-10 7.826260000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2397671 -0.7220756 -1.1188971 ] [ -0.5523655 -0.0614673 -2.8082768 ] [ -0.8727785 1.239069 3.1671039 ] [ -0.6829052 0.6053582 -0.6308301 ] [ 0.2794109 1.1813385 0.2254763 ] [ -1.4342669 -0.2954419 1.2112583 ] [ 3.0472876 -0.2309509 1.5345876 ] [ 0.9904798 -0.680429 -1.2467375 ] [ 1.7139212 -0.2908942 1.7285278 ] [ -0.5238286 0.2534685 -1.4833062 ] [ -0.2038117 0.3407116 2.4563167 ] [ 0.8559312 -0.0036493 -2.5118812 ] [ 0.4540657 2.949205 1.4276683 ] [ -0.4105076 -0.7007376 1.8038188 ] [ 0.0745639 0.03828 -1.4972658 ] [ 1.5018948 2.9574172 -0.1261586 ] [ -0.5032898 1.2096042 -0.4818645 ] [ 2.0641296 0.1018979 0.3495037 ] [ 1.853393 -0.0834795 1.8660947 ] [ -0.0259313 0.7623872 -1.0585351 ] [ -0.1267069 -1.1741126 1.0568748 ] [ 2.2361039 -1.1247804 -3.3822484 ] [ -0.347035 -0.0011642 3.838735 ] [ -0.9383585 -0.260467 -1.2214223 ] [ -3.1649675 -0.9153276 -0.2393481 ] [ -0.1414493 3.1852989 -0.50907 ] [ -1.1083798 0.1093903 1.7552791 ] [ 0.5401923 0.0333861 -0.9548289 ] [ 0.5552452 -0.7040651 -0.9586416 ] [ 0.1286016 0.168789 1.0400035 ] [ -0.1159284 0.4819793 -10.6028072 ] [ 0.5312921 -1.0337212 10.8504192 ] [ 1.296082 -0.1113194 -0.5136099 ] [ 0.7654129 0.9101774 0.1476441 ] [ 0.1490729 0.2943714 -2.5875204 ] [ -0.6889394 0.2248046 2.0802164 ] [ -0.8076694 0.104495 0.582327 ] [ 0.4424258 -0.3690977 0.6167389 ] [ -0.0378013 -0.4620169 -0.1763767 ] [ 1.0708243 -0.6926376 -0.4012792 ] [ 3.0786709 -0.4411409 0.1062124 ] [ -0.0136305 1.2259943 -3.2119625 ] [ 0.971705 0.748626 2.4326493 ] [ -0.8910485 0.3437443 -0.737988 ] [ 0.0423585 2.2947457 2.0854394 ] [ 0.6117958 0.1454488 1.4143109 ] [ -0.0086787 -0.5728095 -0.8553774 ] [ 0.7099073 0.1586317 -0.6812206 ] [ -0.7924386 -1.1204229 -1.9727507 ] [ -1.0762868 -1.0095066 1.5332335 ] [ -0.161063 1.3517109 -0.6315142 ] [ 0.3677455 -0.6412509 -0.7852056 ] [ -0.3100208 -0.4331365 -1.2982686 ] [ -1.2638195 -0.1465319 -3.5144366 ] [ -2.2150306 0.2004837 3.9702322 ] [ 0.1357902 -0.3163111 -0.8299614 ] [ -1.6502911 -2.2970597 0.3417082 ] [ -0.6962125 -0.2263583 0.7473542 ] [ 0.0321105 -1.0950133 -2.0288332 ] [ -2.5662242 -2.7074219 0.6385485 ] [ -0.9598061 -0.0196537 -0.7518783 ] [ -0.4112568 -1.1177389 -1.5329018 ] [ -1.0912173 -1.6724632 2.2785854 ] [ -0.946236 0.1138393 0.0563361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9863258628570155e-09 -1.1568926447701325e-09 -1.7926707747009198e-09 ] [ -8.849870902365023e-10 -9.848147100369984e-11 -4.499355433695037e-09 ] [ -1.398345307836893e-09 1.985207383358035e-09 5.074259824224501e-09 ] [ -1.0941347456627482e-09 9.698907552495705e-10 -1.0107012379169261e-09 ] [ 4.4766561157668675e-10 1.892712925950941e-09 3.6125285640448704e-10 ] [ -2.2979488951672915e-09 -4.733501049847315e-10 1.9406497300099524e-09 ] [ 4.8822929495737425e-09 -3.700241325327187e-10 2.4586803752895824e-09 ] [ 1.58692357893466e-09 -1.090167435914323e-09 -1.9974936747746403e-09 ] [ 2.7460044765334808e-09 -4.660638863663193e-10 2.769406829562858e-09 ] [ -8.392659362263949e-10 4.061013048092448e-10 -2.376518515127689e-09 ] [ -3.265423407855034e-10 5.458801599553613e-10 3.935453190020608e-09 ] [ 1.371352957653289e-09 -5.84682314228544e-12 -4.024477332867049e-09 ] [ 7.274934488471866e-10 4.725147300946464e-09 2.2873767725172805e-09 ] [ -6.577056793807181e-10 -1.122705400035502e-09 2.890036309519511e-09 ] [ 1.1946453733566914e-10 6.1331321044224e-11 -2.3988842598834087e-09 ] [ 2.406300735461092e-09 4.738304695791798e-09 -2.021283594328589e-10 ] [ -8.063591510471079e-10 1.9379995696614876e-09 -7.720320362934816e-10 ] [ 3.3071001874212554e-09 1.6325843308861633e-10 5.599666570230969e-10 ] [ 2.9694629337543745e-09 -1.337489032160736e-10 2.98981330053879e-09 ] [ -4.154652260695104e-11 1.2214789478371738e-09 -1.6959601895161901e-09 ] [ -2.0300683287404353e-10 -1.881135757906702e-09 1.6933000956726757e-09 ] [ 3.582633390259701e-09 -1.8020968604140722e-09 -5.418959312218207e-09 ] [ -5.560113635993279e-10 -1.86525402193536e-12 6.150331470446688e-09 ] [ -1.5034160506289569e-09 -4.173141378899136e-10 -1.956934253183764e-09 ] [ -5.070836934091824e-09 -1.466516481092974e-09 -3.834779300529005e-10 ] [ -2.2662676148852546e-10 5.103411427839957e-09 -8.156200523506561e-10 ] [ -1.77582020252698e-09 1.7526258120229825e-10 2.8122671369988654e-09 ] [ 8.654834737961798e-10 5.349042887969089e-11 -1.529804540444181e-09 ] [ 8.896008782514202e-10 -1.1280366427412142e-09 -1.5359131592463052e-09 ] [ 2.060424769174733e-10 2.704297896482112e-10 1.666269293250173e-09 ] [ -1.8573777216675072e-10 7.722159661695495e-10 -1.698756981068991e-08 ] [ 8.512237814357358e-10 -1.656203939065321e-09 1.7384287968119438e-08 ] [ 2.0765522790397054e-09 -1.7835334012148352e-10 -8.228937739914259e-10 ] [ 1.2263266536387282e-09 1.45826495106053e-09 2.365519252190573e-10 ] [ 2.3884111517485634e-10 4.716349749121652e-10 -4.1456646907230646e-09 ] [ -1.1038025998279796e-09 3.601766743682957e-10 3.332874082284741e-09 ] [ -1.2940290300155636e-09 1.67419445990496e-10 9.329907050606018e-10 ] [ 7.088442731987366e-10 -5.913597057310521e-10 9.881246467179092e-10 ] [ -6.056435909584704e-11 -7.402326755944916e-10 -2.8258662519385537e-10 ] [ 1.7156496584445254e-09 -1.109727769407022e-09 -6.429201526533274e-10 ] [ 4.932574539117295e-09 -7.067856364586708e-10 1.7017102411905793e-10 ] [ -2.18384684298144e-11 1.9642594046940616e-09 -5.14613122438632e-09 ] [ 1.5568430333144641e-09 1.199431074923021e-09 3.8975338350654855e-09 ] [ -1.427617074698909e-09 5.507390809932615e-10 -1.1823871200309505e-09 ] [ 6.78657983921568e-11 3.6765879112213305e-09 3.3412422507751793e-09 ] [ 9.802049274636327e-10 2.3303466688341505e-10 2.265975858522607e-09 ] [ -1.390481023893696e-11 -9.177419890721376e-10 -1.3704656722406899e-09 ] [ 1.1373968789952518e-09 2.541560010577593e-10 -1.0914357189273484e-09 ] [ -1.269626598339483e-09 -1.7951153757889366e-09 -3.1606950502068346e-09 ] [ -1.7244015482356457e-09 -1.6174078730632973e-09 2.456510867927357e-09 ] [ -2.580513730759104e-10 2.165679602060527e-09 -1.0117972869432153e-09 ] [ 5.891932425044064e-10 -1.0273972000469588e-09 -1.2580380548412364e-09 ] [ -4.967080777217126e-10 -6.939611739151392e-10 -2.0800555984387473e-09 ] [ -2.024862055811146e-09 -2.347699843814035e-10 -5.630748155803841e-09 ] [ -3.5488702416765965e-09 3.2121029699148095e-10 6.36101320998735e-09 ] [ 2.1755988377375616e-10 -5.067862493195309e-10 -1.3297447512464372e-09 ] [ -2.644057817934315e-09 -3.680295347921862e-09 5.474768891756506e-10 ] [ -1.11545539060872e-09 -3.626659761840327e-10 1.1973934266966874e-09 ] [ 5.1446692382198405e-11 -1.7544047087250568e-09 -3.2505491205428504e-09 ] [ -4.111544416971184e-09 -4.3377680708219155e-09 1.0230674779469088e-09 ] [ -1.537778893921227e-09 -3.148869865221696e-11 -1.2046418339468486e-09 ] [ -6.589060301050214e-10 -1.7908151337387092e-09 -2.4559794259422376e-09 ] [ -1.7483228462725e-09 -2.6795814381883547e-09 3.650696256376216e-09 ] [ -1.5160371969593089e-09 1.8239066498823746e-10 9.026038232705088e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -106.49906431020753 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.706303109748902e-17 } }