{ "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" [ [ -1.600003107996223e-09 -1.414764093411527e-09 -9.136606043483117e-10 ] [ -2.481218834685024e-10 -3.648034400138419e-10 2.282736708805782e-09 ] [ 1.241509359950415e-09 -1.019635936060479e-09 -4.024377677481236e-10 ] [ -1.172847760430707e-09 3.875562706411468e-10 -1.079402090763844e-09 ] [ -4.085475080738823e-10 -3.052144860447379e-10 -1.706261223881962e-09 ] [ 7.468336432721876e-10 8.767829846320341e-10 7.510915878596257e-10 ] [ -1.842249970013913e-10 -1.368183051209036e-09 -1.471468969245529e-09 ] [ 1.625402093530441e-09 3.208261751466442e-09 2.539402359322362e-09 ] ] "source-value" [ [ -0.9986434 -0.8830263 -0.5702621 ] [ -0.1548655 -0.2276924 1.4247722 ] [ 0.7748892 -0.6364067 -0.2511819 ] [ -0.732034 0.2418936 -0.6737098 ] [ -0.2549953 -0.1904999 -1.0649645 ] [ 0.4661369 0.5472449 0.4687945 ] [ -0.1149842 -0.8539527 -0.9184187 ] [ 1.0144962 2.0024395 1.5849703 ] ] } "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" -5.836153607296885e-18 "source-value" -36.426406 } }