{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.46856e-10 0.0 0.0 ] "source-value" [ 5.46856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.09414e-11 5.47364e-10 0.0 ] "source-value" [ 0.109414 5.47364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53482e-12 1.88746e-11 5.50226e-10 ] "source-value" [ 0.0853482 0.188746 5.50226 ] } "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" [ [ -1.833697230776759e-09 -1.543159804102184e-09 -7.177113594888921e-10 ] [ -1.900787095031462e-10 -3.9375493176936e-10 2.717778290134199e-09 ] [ 1.943650446603049e-09 -1.047690849778998e-09 -2.425320494561933e-10 ] [ -1.555115246046593e-09 1.795129955596186e-10 -1.26255907682981e-09 ] [ -3.764120107198484e-10 -2.492432468854003e-10 -2.244841386499972e-09 ] [ 4.753355222532269e-10 1.03823432271005e-09 1.162395961244918e-09 ] [ 4.277507163978048e-11 -1.687859103868439e-09 -1.803257637375842e-09 ] [ 1.493542316767953e-09 3.70396045791705e-09 2.390727418489254e-09 ] ] "source-value" [ [ -1.1445038 -0.9631646 -0.4479602 ] [ -0.1186378 -0.2457625 1.6963038 ] [ 1.2131312 -0.6539172 -0.1513766 ] [ -0.9706266 0.1120432 -0.7880274 ] [ -0.2349379 -0.1555654 -1.4011198 ] [ 0.2966811 0.6480149 0.7255105 ] [ 0.0266981 -1.0534788 -1.1255049 ] [ 0.9321958 2.3118303 1.4921747 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.11998e-11 5.98912e-13 -1.42628e-11 ] [ 1.42992e-10 1.39997e-10 1.14788e-10 ] [ 3.44059e-12 2.83471e-10 2.60329e-10 ] [ 1.5648e-10 4.17845e-10 4.01026e-10 ] [ 2.81953e-10 7.576710000000001e-13 2.62729e-10 ] [ 4.17997e-10 1.38562e-10 3.91338e-10 ] [ 2.81257e-10 2.67111e-10 -1.66315e-11 ] [ 4.15871e-10 3.96748e-10 1.06238e-10 ] ] "source-value" [ [ 0.111998 0.00598912 -0.142628 ] [ 1.42992 1.39997 1.14788 ] [ 0.0344059 2.83471 2.60329 ] [ 1.5648 4.17845 4.01026 ] [ 2.81953 0.00757671 2.62729 ] [ 4.17997 1.38562 3.91338 ] [ 2.81257 2.67111 -0.166315 ] [ 4.15871 3.96748 1.06238 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.828248948502844e-18 "source-value" -36.377069 } }