{ "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" [ [ -1.4689472 0.2952563 2.3990536 ] [ -0.5572901 0.833669 0.195485 ] [ 0.8830153 -0.1844713 0.6226104 ] [ 1.8696655 -1.1746573 -1.4129471 ] [ -1.2487501 0.3152432 1.5216602 ] [ -0.9203158 0.6287247 0.2998994 ] [ 0.0210521 -0.3713955 -1.1494989 ] [ 1.4215703 -0.3423691 -2.4762626 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.353512861029622e-09 4.730527410039111e-10 3.843707589966075e-09 ] [ -8.928771692232942e-10 1.335684981285715e-09 3.13201496717088e-10 ] [ 1.414746469468698e-09 -2.955556040685831e-10 9.975318267469363e-10 ] [ 2.995534352816342e-09 -1.882008463512052e-09 -2.263790810047159e-09 ] [ -2.000718215441662e-09 5.050752849061786e-10 2.437968397241852e-09 ] [ -1.474508458512849e-09 1.007328015259494e-09 4.804918072719475e-10 ] [ 3.372918243874368e-11 -5.950411871703264e-10 -1.841700263215317e-09 ] [ 2.277606699483642e-09 -5.485357677043373e-10 -3.967410044681422e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 660.71721 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.058585666822204e-16 } }