{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.400000000000001e-10 0.0 0.0 ] "source-value" [ 5.4 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.86566e-11 5.8038e-10 0.0 ] "source-value" [ 0.386566 5.8038 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.33064e-11 -2.20286e-11 5.20849e-10 ] "source-value" [ -0.433064 -0.220286 5.20849 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.168048059421614e-10 -3.438701052441823e-09 2.233556615689029e-09 ] [ -1.1127070168334e-09 -8.737848315215309e-09 -5.498247989046019e-09 ] [ 8.007401574203002e-10 -3.484678875146582e-09 5.21169950150425e-09 ] [ 6.379422059142679e-09 5.438061262979696e-09 2.29058112575888e-09 ] [ 2.425797943194932e-09 -9.292538523973125e-09 3.002884338064262e-09 ] [ 2.12644197618181e-09 1.224964002422738e-09 -2.494424615264306e-09 ] [ -3.672696704862394e-09 3.853054367936497e-09 -3.075201303544326e-09 ] [ -6.530193448084105e-09 1.443768713343791e-08 -1.670847993597095e-09 ] ] "source-value" [ [ -0.2601491000000001 -2.1462684000000003 1.3940764000000003 ] [ -0.6944971000000001 -5.453736000000001 -3.431736500000001 ] [ 0.49978270000000014 -2.1749655000000003 3.2528870000000008 ] [ 3.9817221000000007 3.394170900000001 1.4296683000000001 ] [ 1.5140640000000005 -5.7999464000000005 1.8742530000000004 ] [ 1.3272207000000003 0.7645624000000002 -1.5568974000000004 ] [ -2.2923170000000006 2.4048874000000002 -1.9193897000000004 ] [ -4.075826200000001 9.011295600000002 -1.0428613000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -9.90081e-12 -2.44555e-11 -2.90689e-11 ] [ 1.37678e-10 1.31208e-10 1.41317e-10 ] [ 1.46167e-11 2.66383e-10 2.23753e-10 ] [ 1.10278e-10 3.83154e-10 3.71513e-10 ] [ 2.55958e-10 4.22069e-11 2.77183e-10 ] [ 3.95966e-10 1.45431e-10 4.356900000000001e-10 ] [ 2.78855e-10 2.68274e-10 3.81413e-11 ] [ 4.33575e-10 3.68618e-10 1.46711e-10 ] ] "source-value" [ [ -0.0990081 -0.244555 -0.290689 ] [ 1.37678 1.31208 1.41317 ] [ 0.146167 2.66383 2.23753 ] [ 1.10278 3.83154 3.71513 ] [ 2.55958 0.422069 2.77183 ] [ 3.95966 1.45431 4.3569 ] [ 2.78855 2.68274 0.381413 ] [ 4.33575 3.68618 1.46711 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.036978216239343e-16 "source-value" 647.2309 } }