{ "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0251525 0.1266442 1.3361055 ] [ -0.0732458 -0.4693197 -0.1073759 ] [ 1.0319841 1.2379114 0.4043905 ] [ -1.287874 0.5656512 -2.6085877 ] [ 0.0300684 -0.0725379 -0.3947592 ] [ -1.8136347 0.8275646 -0.2796455 ] [ 2.5539615 -1.823363 1.2358261 ] [ -1.466412 -0.3925507 0.4140462 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.642475368254672e-09 2.029063763999194e-10 2.140676995022294e-09 ] [ -1.173527083317926e-10 -7.519330510208698e-10 -1.720351566173587e-10 ] [ 1.653420798057329e-09 1.983352703701797e-09 6.479050047736223e-10 ] [ -2.063401613336179e-09 9.06273128167465e-10 -4.179418226246444e-09 ] [ 4.817488750486272e-11 -1.162185275019283e-10 -6.324739610857114e-10 ] [ -2.905763115011622e-09 1.325904654321704e-09 -4.480414822119264e-10 ] [ 4.0918974057233e-09 -2.921349569831751e-09 1.980011684794443e-09 ] [ -2.34945102286057e-09 -6.289355540186744e-10 6.633751415710809e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.134499240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.745249409249157e-18 } }