{ "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" [ [ 2.1838199000000005 -1.3649925000000003 0.6966132000000002 ] [ -0.4959574000000001 -0.15488940000000004 -0.5090937000000001 ] [ 0.5691915000000001 -1.6790672000000004 1.3373710000000003 ] [ -0.2897390000000001 1.9402197000000005 0.9611324000000002 ] [ 0.4818918000000001 -0.5972350000000001 0.7717890000000002 ] [ -1.0666663000000003 1.0064981000000002 -1.1511729000000002 ] [ 0.31241840000000004 -0.8569032000000002 -1.6619754000000004 ] [ -1.6949588000000004 1.7063695000000005 -0.4446635000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.498865187817794e-09 -2.186959071067344e-09 1.116097382780675e-09 ] [ -7.94611351192754e-10 -2.481601754897396e-10 -8.156580239365691e-10 ] [ 9.119453140580834e-10 -2.690162212592118e-09 2.142704549535918e-09 ] [ -4.642130519339714e-10 3.108574642555591e-09 1.539903860773394e-09 ] [ 7.720757757152296e-10 -9.568759541234882e-10 1.236542291990611e-09 ] [ -1.70898780805524e-09 1.612587724699621e-09 -1.844382306878537e-09 ] [ 5.005494563877428e-10 -1.372910273328707e-09 -2.662778130224729e-09 ] [ -2.715623362579224e-09 2.733905319346186e-09 -7.12429463823101e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.774818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.731757701297503e-18 } }