{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7145024 -3.533125 0.9334984 ] [ -0.1177659 1.4718909 3.7792407 ] [ 2.195126 0.678602 -1.6620847 ] [ -1.4970373 -0.3713279 -1.3165685 ] [ 1.2765905 0.7414396 -0.4367683 ] [ -5.3940065 2.5004839 -4.0008786 ] [ 3.3124726 0.7105146 0.8959488 ] [ -2.4898819 -2.198478 1.8076122 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.34911228238549e-09 -5.660690273364e-09 1.495629312034207e-09 ] [ -1.886817717074707e-10 2.358229188348271e-09 6.055011093915826e-09 ] [ 3.516979556910221e-09 1.087240259228122e-09 -2.662953248129382e-09 ] [ -2.398518162525555e-09 -5.949328800307603e-10 -2.109375270381725e-09 ] [ 2.045323453435382e-09 1.187917192855304e-09 -6.997799589665607e-10 ] [ -8.642151106743235e-09 4.006216845266805e-09 -6.410114155579035e-09 ] [ 5.307166156760591e-09 1.138369880857063e-09 1.435468220793815e-09 ] [ -3.989230568733083e-09 -3.522350052943143e-09 2.896114006312854e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.985729240654237 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.240760841421516e-18 } }