{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9130140000000004 -1.5678614000000004 7.417989200000002 ] [ 54.21124370000001 -66.80826410000002 -43.00710490000001 ] [ -45.33775180000001 63.894567500000015 51.42180620000001 ] [ -243.71581060000005 -200.59080810000006 153.86143090000002 ] [ 230.46322060000006 183.44939640000004 -176.06682570000004 ] [ 6.6142036000000015 16.705802600000002 10.908084300000002 ] [ -133.52025120000002 -95.49145530000001 -125.76482010000002 ] [ 128.37213160000002 100.40862220000002 121.22944000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.667162965314876e-09 -2.511990900430528e-09 1.188492896750435e-08 ] [ 8.685598795621972e-08 -1.070386396991211e-07 -6.890497856676692e-08 ] [ -7.263908657205144e-08 1.023703830880358e-07 8.238681637171634e-08 ] [ -3.904757770796896e-07 -3.21381905732998e-07 2.465131894617856e-07 ] [ 3.692427870417075e-07 2.939183364334837e-07 -2.820901541590907e-07 ] [ 1.059712246043868e-08 2.676564657793645e-08 1.747667778716225e-08 ] [ -2.139230266384505e-07 -1.529941784283155e-07 -2.014974561434335e-07 ] [ 2.05674829706293e-07 1.608723483409737e-07 1.94230976120905e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 68.378204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.095539607236853e-17 } }