{ "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" [ 5.43182 0 0 ] "si-unit" "m" "si-value" [ 5.43182e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00436542 5.42411 0 ] "si-unit" "m" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.250705 -0.013062 5.36378 ] "si-unit" "m" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0907405 0.7338358 -0.8176559 ] [ -0.2037314 -1.492064 3.0483284 ] [ -0.076054 0.899926 -1.951439 ] [ 1.9302195 -0.3380317 -1.1570003 ] [ -0.1498565 0.4953798 0.4709661 ] [ -2.1797369 -1.5176842 1.8960504 ] [ 0.2011928 -0.3276747 -4.5314203 ] [ 2.5687069 1.5463131 3.0421705 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.349735576857477e-09 1.175734571952697e-09 -1.310029177632241e-09 ] [ -3.264136886921076e-10 -2.390550077232576e-09 4.883960535238605e-09 ] [ -1.21851941722236e-10 1.441840409529084e-09 -3.126549968476326e-09 ] [ 3.092552581391162e-09 -5.415864912912978e-10 -1.85371884619099e-09 ] [ -2.40096582753021e-10 7.936859405155931e-10 7.545708808261073e-10 ] [ -3.492323529447594e-09 -2.431598163030982e-09 3.037807647766353e-09 ] [ 3.223464030890352e-10 -5.249927478929598e-10 -7.260135723493269e-09 ] [ 4.115522174774574e-09 2.477466717668105e-09 4.874094491744096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.731357 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.724794528651234e-18 } }