{ "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" [ 5.36838 0 0 ] "si-unit" "m" "si-value" [ 5.368380000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0320632 5.46183 0 ] "si-unit" "m" "si-value" [ -3.20632e-12 5.46183e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0835799 0.195471 5.46165 ] "si-unit" "m" "si-value" [ -8.35799e-12 1.95471e-11 5.461649999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0445787 0.0905296 0.00673122 ] [ 1.23056 1.45848 1.40837 ] [ -0.162897 2.78891 2.76222 ] [ 1.2265 4.23635 3.86532 ] [ 2.68005 0.105406 2.5782 ] [ 3.88338 1.64051 4.20954 ] [ 2.69942 2.77008 0.000613011 ] [ 4.15957 4.14184 1.16379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.45787e-12 9.05296e-12 6.731220000000001e-13 ] [ 1.23056e-10 1.45848e-10 1.40837e-10 ] [ -1.62897e-11 2.78891e-10 2.76222e-10 ] [ 1.2265e-10 4.23635e-10 3.86532e-10 ] [ 2.68005e-10 1.05406e-11 2.5782e-10 ] [ 3.88338e-10 1.64051e-10 4.20954e-10 ] [ 2.69942e-10 2.77008e-10 6.13011e-14 ] [ 4.159570000000001e-10 4.14184e-10 1.16379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0750774000000005 1.3670565000000001 -1.6741263000000004 ] [ 0.5860715000000001 0.03284610000000001 -0.8141263000000002 ] [ 1.4219379000000003 0.8983754000000003 -1.3399012000000001 ] [ 1.0440728000000001 0.06720660000000002 1.8402972000000004 ] [ 0.15953600000000004 -0.16099260000000004 0.7186391000000001 ] [ 0.12136640000000003 -2.1987896000000005 -1.5658442000000004 ] [ -1.9543840000000003 1.0507838000000003 -0.2608556000000001 ] [ -3.453678000000001 -1.0564862000000002 3.095917300000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.324640496630451e-09 2.190265963612676e-09 -2.682246018126408e-09 ] [ 9.389900554171873e-10 5.26252535044589e-11 -1.304374124238407e-09 ] [ 2.278195659609449e-09 1.439356062581849e-09 -2.146758376821865e-09 ] [ 1.672789030573194e-09 1.076768432834573e-10 2.948481149163703e-09 ] [ 2.556048493759489e-10 -2.579385798418062e-10 1.151386764812753e-09 ] [ 1.944504086306612e-10 -3.522849291178184e-09 -2.50875896905528e-09 ] [ -3.131268352865588e-09 1.683541237875383e-09 -4.179367437247566e-10 ] [ -5.533402147371303e-09 -1.692677489837833e-09 4.960206317990262e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.43035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.836785505756128e-18 } }