{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39006e-10 0.0 0.0 ] "source-value" [ 5.39006 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] "source-value" [ 0.23331 5.36322 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] "source-value" [ -0.160148 -0.0213292 5.4933 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.461790039892893e-09 1.543080223989429e-08 3.569110699144825e-09 ] [ 2.598066056292954e-09 3.24827210712937e-10 -3.327937776116056e-09 ] [ 1.426524069808199e-09 -3.378624876562334e-09 1.856074030551162e-09 ] [ -2.311301274907377e-09 -1.213467263644863e-08 -8.184364705670617e-09 ] [ -2.5361978458631e-09 1.818222383580035e-08 3.942320599670342e-09 ] [ 3.284221585929218e-09 -1.115363105235362e-09 -3.466523330115001e-09 ] [ 9.273135524224589e-10 -1.263262432366341e-09 1.176263184420332e-08 ] [ -9.268361037894606e-10 -1.604593039601257e-08 -6.151311201450308e-09 ] ] "source-value" [ [ -1.5365285 9.6311493 2.2276637 ] [ 1.6215853 0.2027412 -2.0771354 ] [ 0.8903663 -2.1087718 1.1584703 ] [ -1.4426008 -7.573867 -5.1082787 ] [ -1.5829702 11.3484516 2.460603 ] [ 2.0498499 -0.6961549 -2.1636337 ] [ 0.5787836 -0.7884664 7.3416574 ] [ -0.5784856 -10.0150821 -3.8393465 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.675432441611131e-18 "source-value" -16.698736 } }