{ "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" [ [ 14.232447400000003 11.121136900000002 -0.6464879000000001 ] [ -8.787614800000002 -0.4224860000000001 2.1875421000000004 ] [ 14.356278300000003 3.110529300000001 -9.981442700000002 ] [ -4.249958800000001 1.6182035000000003 -1.6622721000000005 ] [ -0.6089555000000001 9.160969800000002 12.679872200000004 ] [ -8.964719000000002 -14.173199600000004 -4.351457500000001 ] [ -0.8699763000000003 -1.5994994000000005 1.8197059000000004 ] [ -5.107501400000001 -8.815654500000003 -0.045459900000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.280289448104575e-08 1.781802553789619e-08 -1.035787799010088e-09 ] [ -1.407931098515607e-08 -6.76897191815309e-10 3.504828809635737e-09 ] [ 2.300129345395837e-08 4.98361732277339e-09 -1.599203413579483e-08 ] [ -6.809184628723224e-09 2.592647815396733e-09 -2.66325349602812e-09 ] [ -9.756542652075745e-10 1.467749163741486e-08 2.031539479357187e-08 ] [ -1.436306319384156e-08 -2.270796904105192e-08 -6.971803472904818e-09 ] [ -1.393855688510087e-09 -2.562680543663628e-09 2.915490249711824e-09 ] [ -8.18311933378327e-09 -1.412423553695032e-08 -7.283478896390594e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -12.311311 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.972489465559787e-18 } }