{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1494334 -0.2783536 -0.0228537 ] [ -0.4847639 0.1948056 -0.2123389 ] [ 0.9651114 0.2217201 1.3165405 ] [ -0.1686889 0.4517087 -1.0909235 ] [ 0.1604465 -2.3806723 0.1441571 ] [ 0.2345899 0.3686676 0.0869425 ] [ -0.3319358 0.11223 -0.427678 ] [ -0.5241925 1.309894 0.206154 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.394187018191756e-10 -4.459716339097824e-10 -3.66156641404458e-11 ] [ -7.766773935867125e-10 3.121129804923504e-10 -3.402044240692626e-10 ] [ 1.546278934287027e-09 3.552347635081434e-10 2.109330426814677e-09 ] [ -2.702694139951626e-10 7.237171245145157e-10 -1.747852141181499e-09 ] [ 2.57063633307081e-10 -3.814257532271038e-09 2.309651372452014e-10 ] [ 3.758544563523965e-10 5.906706144328583e-10 1.39297242001545e-10 ] [ -5.318197827480972e-10 1.7981228363382e-10 -6.852156984758519e-10 ] [ -8.398489752180448e-10 2.098681559816796e-09 3.30295121805636e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.593229 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.862881646641118e-18 } }