{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 13.511123600000003 12.180793400000004 -15.405544900000004 ] [ 2.0635995000000005 0.08127050000000001 -0.8892700000000002 ] [ 14.932764300000004 7.017563500000001 -13.169886200000004 ] [ -3.931680500000001 0.4470603000000001 -10.575118900000001 ] [ -17.763875200000005 5.575296200000001 16.460755400000004 ] [ -0.34574990000000005 -11.573088900000002 3.705737000000001 ] [ -10.323861900000002 -1.3774986000000002 13.791993600000003 ] [ 1.8576802000000003 -12.351396400000004 6.081334100000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.164720635265913e-08 1.951578240827495e-08 -2.468240386946468e-08 ] [ 3.30625087359457e-09 1.302096950607264e-10 -1.424767603578816e-09 ] [ 2.392492584537688e-08 1.124337617467942e-08 -2.110048376823656e-08 ] [ -6.299246577555256e-09 7.162695607478343e-10 -1.694320826376021e-08 ] [ -2.846086554024893e-08 8.932609225675085e-09 2.637303746258736e-08 ] [ -5.53952406423938e-10 -1.854213246601999e-08 5.937245184233531e-09 ] [ -1.654065017254787e-08 -2.206996052104731e-09 2.209720970014323e-08 ] [ 2.976331785363069e-09 -1.978911854631329e-08 9.743371318293813e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.9469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.074322049183552e-18 } }