{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.014337100000000004 0.5350811000000001 -0.7203135000000002 ] [ 2.0710406000000003 -1.9955375000000004 -3.010990600000001 ] [ -1.8735811000000004 1.6211681000000004 2.6379915000000005 ] [ 0.4033731000000001 -2.1248319000000007 0.7441291000000001 ] [ -0.5807229000000002 0.016222600000000004 1.0884321000000001 ] [ -0.5325638000000001 0.8132798000000002 2.5694994000000007 ] [ 0.25632610000000006 1.0005979000000003 -2.6941938000000003 ] [ 0.24179100000000006 0.13402000000000003 -0.6145543000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.297056643007169e-11 8.572944286519471e-10 -1.154069449346621e-09 ] [ 3.318172830047605e-09 -3.197203528429681e-09 -4.824138744768565e-09 ] [ -3.001807835592748e-09 2.597397628206757e-09 4.226528307169124e-09 ] [ 6.462749502796207e-10 -3.404355993310044e-09 1.192226246876946e-09 ] [ -9.304206535431766e-10 2.599147044859009e-11 1.743860463948248e-09 ] [ -8.532612694444073e-10 1.3030178817289e-09 4.116791865839628e-09 ] [ 4.10679684720843e-10 1.603134562201577e-09 -4.316574318264312e-09 ] [ 3.873918873198529e-10 2.147237107196161e-10 -9.846245316721096e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 661.60848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.060013638779024e-16 } }