{ "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" [ 5.56073 0 0 ] "si-unit" "m" "si-value" [ 5.56073e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.133996 5.45738 0 ] "si-unit" "m" "si-value" [ 1.33996e-11 5.45738e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.257535 0.146511 5.42452 ] "si-unit" "m" "si-value" [ 2.57535e-11 1.46511e-11 5.42452e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.021946 -0.143129 0.447254 ] [ 1.34917 1.36629 1.27067 ] [ 0.149131 2.79951 2.69143 ] [ 1.55983 4.18842 3.90967 ] [ 2.84034 0.059242 2.59602 ] [ 4.26988 1.39211 3.97128 ] [ 2.60434 2.82137 -0.639913 ] [ 3.66815 4.10108 1.28502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1946e-12 -1.43129e-11 4.47254e-11 ] [ 1.34917e-10 1.36629e-10 1.27067e-10 ] [ 1.49131e-11 2.79951e-10 2.69143e-10 ] [ 1.55983e-10 4.18842e-10 3.90967e-10 ] [ 2.84034e-10 5.9242e-12 2.59602e-10 ] [ 4.26988e-10 1.39211e-10 3.97128e-10 ] [ 2.60434e-10 2.82137e-10 -6.399129999999999e-11 ] [ 3.66815e-10 4.10108e-10 1.28502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.073843 -0.6496698 -7.2739195 ] [ 2.0528302 2.2602801 -0.742735 ] [ -3.4609093 2.20378 -2.8545836 ] [ -3.3360726 3.3032055 1.3564755 ] [ -1.9492603 1.6112417 0.9706352 ] [ 4.1633387 -3.7237248 2.8537606 ] [ 0.6401158 -0.6221122 7.0608668 ] [ 5.9638005 -4.3830005 -1.3705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.527016011409734e-09 -1.040885764799812e-09 -1.165410376448123e-08 ] [ 3.288996552912188e-09 3.621367932679486e-09 -1.189992652449888e-09 ] [ -5.544987967169294e-09 3.530844793386624e-09 -4.5735471060391e-09 ] [ -5.34497752501147e-09 5.292318625797974e-09 2.173313332787991e-09 ] [ -3.123059280513594e-09 2.581493782198047e-09 1.555129024765532e-09 ] [ 6.670403929611865e-09 -5.966064816853156e-09 4.572228514680181e-09 ] [ 1.025578569364689e-09 -9.967336223544537e-10 1.131275570954291e-08 ] [ 9.55506173221535e-09 -7.022340930054709e-09 -2.1957830588064e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.264694 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.009156178326604e-18 } }