{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1808508000000002 1.2427320000000002 -1.6948223000000004 ] [ 1.5881548000000005 -1.2385214000000002 -1.1794044000000001 ] [ -0.7787285000000003 0.36586120000000005 2.0047372000000006 ] [ -0.35056010000000004 0.7073103000000001 -0.21287540000000005 ] [ -14.803745700000004 -13.264858500000004 -13.878607300000004 ] [ 14.844575500000003 13.411189000000004 13.962282300000004 ] [ 0.37443000000000004 -0.5043056000000001 0.2728380000000001 ] [ -2.0549768000000004 -0.7194070000000001 0.7258520000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.891931544412977e-09 1.991076156320026e-09 -2.715404665470485e-09 ] [ 2.544504490771301e-09 -1.984330031440486e-09 -1.889614156148652e-09 ] [ -1.247660596650653e-09 5.861742610978331e-10 3.211943072688054e-09 ] [ -5.616591964053101e-10 1.133236026311034e-09 -3.410639890234484e-10 ] [ -2.371821526080854e-08 -2.125264616692017e-08 -2.223598014532422e-08 ] [ 2.378363181180047e-08 2.148709347293014e-08 2.237004227406966e-08 ] [ 5.99902992126144e-10 -8.079866420585166e-10 4.371346648658305e-10 ] [ -3.292435785246398e-09 -1.152617076239866e-09 1.162943104560922e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -59.537854 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.539015773140377e-18 } }