{ "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" [ [ 0.6219891000000001 0.20113180000000005 -1.1103120000000002 ] [ 1.0931713000000003 -0.5633268000000001 -1.0030709000000002 ] [ -0.08107360000000001 0.21563850000000007 1.4228809000000002 ] [ -0.17772440000000003 0.6594945000000001 0.18952480000000005 ] [ -2.5784410000000006 -3.936756000000001 -3.144561800000001 ] [ 2.8259840000000005 3.727975300000001 3.083453700000001 ] [ 0.15782700000000002 -0.08699440000000001 0.12865030000000002 ] [ -1.8617326000000005 -0.21716280000000004 0.4334350000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.965363944124333e-10 3.222486676594215e-10 -1.77891592819369e-09 ] [ 1.751453499389543e-09 -9.025490288300777e-10 -1.607096744984815e-09 ] [ -1.298942264840909e-10 3.454909632443809e-10 2.279706512162863e-09 ] [ -2.847458786257076e-10 1.056626669446186e-09 3.036522036217959e-10 ] [ -4.131117888312174e-09 -6.307378424994126e-09 -5.038143398620767e-09 ] [ 4.527725495554868e-09 5.972874868579868e-09 4.940237429459259e-09 ] [ 2.528667295310017e-10 -1.393803938205235e-10 2.061205029189063e-10 ] [ -2.982824445901199e-09 -3.479331610674663e-10 6.944394236364481e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.656558 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.71281036057992e-18 } }