{ "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" [ [ 1.2663232 0.1630639 1.5513211 ] [ -0.3090716 -0.4921462 -0.244235 ] [ 1.3306533 1.2969975 0.5944432 ] [ -1.3714903 0.3885001 -2.7358267 ] [ 0.1112518 -0.0470357 -0.2713995 ] [ -1.8734468 0.6807293 -0.3811107 ] [ 2.5687933 -1.6916052 1.1727714 ] [ -1.7230129 -0.2985038 0.3140361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.028873425416643e-09 2.612571682764691e-10 2.485490397773739e-09 ] [ -4.951872916732493e-10 -7.885051356555609e-10 -3.91307606981088e-10 ] [ 2.131941607650369e-09 2.078019071736048e-09 9.524029974335384e-10 ] [ -2.197369694313978e-09 6.224457773984621e-10 -4.383277577300416e-09 ] [ 1.782450329819174e-10 -7.535949888296256e-11 -4.348299337968097e-10 ] [ -3.001592663272573e-09 1.09064856955355e-09 -6.106066534767226e-10 ] [ 4.11566056892768e-09 -2.710250303063708e-09 1.878986918622885e-09 ] [ -2.760570985716809e-09 -4.78255809579959e-10 5.031412975072109e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -26.091394 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.18030214708814e-18 } }