{ "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" [ [ 2.0220389 0.1338566 2.4527333 ] [ -0.5297759 -0.6299763 -0.30822 ] [ 1.9423558 1.8062651 0.7158539 ] [ -2.1282253 0.8950493 -4.2189549 ] [ 0.231232 0.0290362 -0.3701945 ] [ -2.8555072 0.9289464 -0.8940846 ] [ 3.9356688 -2.6714215 2.1144633 ] [ -2.617787 -0.4917559 0.5084033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.239663478619062e-09 2.144619168266844e-10 3.929711982693712e-09 ] [ -8.487945682363205e-10 -1.009333307833774e-09 -4.938228821314799e-10 ] [ 3.111997077674377e-09 2.893955738029673e-09 1.146924391937772e-09 ] [ -3.40979284754764e-09 1.434027074738056e-09 -6.759510960679805e-09 ] [ 3.704745074330879e-10 4.65211211801508e-11 -5.931169779353129e-10 ] [ -4.575026914058764e-09 1.488336216318417e-09 -1.432481454939236e-09 ] [ 6.305636590522819e-09 -4.280089106865231e-09 3.387743692710532e-09 ] [ -4.194157164188957e-09 -7.878798126116406e-10 8.145518879084921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.702756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72021214326033e-18 } }