{ "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" [ [ 2.3690426000000007 -1.5189354000000004 0.7001374000000001 ] [ -0.6264086000000001 -0.25977440000000007 -0.6149933000000001 ] [ 0.5912710000000001 -2.0344112000000005 1.6012896000000005 ] [ -0.24273590000000006 2.0331821000000003 1.0516042000000003 ] [ 0.6634382000000001 -0.7205024000000001 0.7855997000000002 ] [ -1.2650598000000002 1.3638410000000003 -1.2602687000000001 ] [ 0.28527450000000004 -0.9576721000000002 -1.6694237000000005 ] [ -1.7748220000000003 2.0942725000000006 -0.5939451000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.795624667399247e-09 -2.433602786385497e-09 1.121743773627698e-09 ] [ -1.003617213988059e-09 -4.162044703623476e-10 -9.853278872086408e-10 ] [ 9.473205727570369e-10 -3.259486061733674e-09 2.565548760250184e-09 ] [ -3.889057840088469e-10 3.257516826449048e-09 1.684855663575088e-09 ] [ 1.062945173385635e-09 -1.15437210051029e-09 1.258669472647494e-09 ] [ -2.026849235473924e-09 2.185114164688493e-09 -2.019173047066009e-09 ] [ 4.570601344104097e-10 -1.53435984901244e-09 -2.674711622349434e-09 ] [ -2.843578314481498e-09 3.355394437084369e-09 -9.516049532587182e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.706627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.720832298702604e-18 } }