{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7134733 1.2564101 -1.4190115 ] [ -0.9878942 -0.0272163 -0.6128923 ] [ -1.0595797 -0.5432196 -1.3582134 ] [ 0.5342058 1.5874579 1.4161082 ] [ 0.857417 -0.8316596 0.7548862 ] [ 0.5796823 -1.3010694 -0.7404053 ] [ -1.1120704 0.292937 -0.2290691 ] [ -0.5252341 -0.4336401 2.1885973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.745286884242872e-09 2.012990904941603e-09 -2.273507068677291e-09 ] [ -1.582781004104123e-09 -4.360531992393419e-11 -9.81961722218518e-10 ] [ -1.69763383720073e-09 -8.703337502508264e-10 -2.176097773465695e-09 ] [ 8.558920505072771e-10 2.543387954838708e-09 2.268855469255798e-09 ] [ 1.373733482994378e-09 -1.332465578561786e-09 1.20946103096905e-09 ] [ 9.287534362033781e-10 -2.084542991892399e-09 -1.18626007134976e-09 ] [ -1.781733210243033e-09 4.693368166340579e-10 -3.670091595914094e-10 ] [ -8.415178024000194e-10 -6.947680357854233e-10 3.506519455295488e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.895528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.751097622669275e-18 } }