{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9749065000000003 -1.7821986000000005 1.2686953000000003 ] [ -0.8512628000000002 -0.16025710000000004 -0.6989151000000001 ] [ 1.0399708000000003 -2.5303143000000006 1.8891561000000003 ] [ -0.31134010000000006 2.2865147000000006 0.9472870000000002 ] [ 0.7857000000000002 -0.7742018000000003 0.9830539000000003 ] [ -1.6904630000000005 1.5973862000000005 -1.6739340000000005 ] [ 0.35471630000000004 -1.1090938000000001 -1.8941768000000005 ] [ -2.3022277000000004 2.4721647000000004 -0.8211664000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.766325643365956e-09 -2.855396930542492e-09 2.032673948578843e-09 ] [ -1.363873356316747e-09 -2.567601789372078e-10 -1.119785433144094e-09 ] [ 1.666216902074673e-09 -4.054010414735918e-09 3.026761736461708e-09 ] [ -4.988218293375341e-10 3.663400395455527e-09 1.51772108458777e-09 ] [ 1.25883017096256e-09 -1.240408023741278e-09 1.575025975566262e-09 ] [ -2.708420296927432e-09 2.559294824028554e-09 -2.681937919562228e-09 ] [ 5.683181628766791e-10 -1.776964156634231e-09 -3.034805784621758e-09 ] [ -3.688575396698157e-09 3.960844485107046e-09 -1.315653607866501e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.678511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.716327618915564e-18 } }