{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.941599 7.4441468 9.5814653 ] [ -0.6468965 -0.2404704 -0.5961877 ] [ 1.7195797 -0.3684372 0.3866812 ] [ 9.003039 -9.9323897 -9.2222418 ] [ -7.0498121 6.9219215 7.8341337 ] [ -1.3090414 1.0147513 0.825147 ] [ -0.0346685 0.7727961 -1.4229943 ] [ 6.2593987 -5.6123184 -7.3860033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.272384435439776e-08 1.192683806302587e-08 1.53511998231418e-08 ] [ -1.036442456916381e-09 -3.852760560486336e-10 -9.551980024182017e-10 ] [ 2.75507041564073e-09 -5.903014729363848e-10 6.195315834470808e-10 ] [ 1.442445872079072e-08 -1.591344269712227e-08 -1.47756603250581e-08 ] [ -1.129504422071047e-08 1.109014088968223e-08 1.255166596177197e-08 ] [ -2.097315544018647e-09 1.625810822181124e-09 1.322031243015198e-09 ] [ -5.5545060635829e-11 1.238155854266327e-09 -2.279888217775186e-09 ] [ 1.002866234002997e-08 -8.991925403048265e-09 -1.183368190590689e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.411254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.353073047143903e-18 } }