{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.959354 0.2494197 0.5664065 ] [ -0.3733708 0.1722086 -0.5472371 ] [ -0.6894719 -0.5015072 -1.6803011 ] [ -0.2815653 2.1247215 -1.7991791 ] [ -0.5361038 -0.9930273 -0.3396033 ] [ 0.2586512 0.2266144 0.7463452 ] [ -0.0283224 -2.0010409 1.1736662 ] [ 0.6908289 0.7226112 1.8799026 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.537054562534436e-09 3.996144153992897e-10 9.07483259645721e-10 ] [ -5.982059715778872e-10 2.759085950938524e-10 -8.767704948779214e-10 ] [ -1.104655767979585e-09 -8.035031176227648e-10 -2.692139160504497e-09 ] [ -4.511173446052002e-10 3.404179141057431e-09 -2.882602714401149e-09 ] [ -8.589329817586091e-10 -1.591005136984108e-09 -5.441044720892921e-10 ] [ 4.144049089960608e-10 3.630762966079295e-10 1.195776840338057e-09 ] [ -4.537748749880159e-11 -3.20602097365833e-09 1.880420561755571e-09 ] [ 1.106829921671923e-09 1.157750780106701e-09 3.011936019915848e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.273391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.811637949614589e-18 } }