{ "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" [ 5.5048 0 0 ] "si-unit" "m" "si-value" [ 5.5048e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0192448 5.36034 0 ] "si-unit" "m" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.190348 0.0157222 5.58687 ] "si-unit" "m" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.2588466 7.2465031 -6.1749707 ] [ -2.5832598 2.6422747 -4.3959861 ] [ -6.4992273 -5.8126727 -4.7429691 ] [ 2.562172 -0.0937463 9.2612661 ] [ 5.9788079 0.1571749 -0.0244004 ] [ 4.0609436 -1.3349711 -2.0031803 ] [ -3.6064584 2.7897187 1.340197 ] [ -5.1718246 -5.5942813 6.7400435 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.42560107489357e-09 1.161017784937472e-08 -9.893393689665011e-09 ] [ -4.138838457012484e-09 4.233390750071335e-09 -7.043146154781771e-09 ] [ -1.041291003332511e-08 -9.312928304302414e-09 -7.599074205196816e-09 ] [ 4.105052076868378e-09 -1.50198130146503e-10 1.48381840244276e-08 ] [ 9.579106237634344e-09 2.518219501565779e-10 -3.909375041816832e-11 ] [ 6.506348894307387e-09 -2.138859485863659e-09 -3.20944864390713e-09 ] [ -5.778183332367774e-09 4.46962207974857e-09 2.147232300666298e-09 ] [ -8.286176460998312e-09 -8.963026709038632e-09 1.079874011887501e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -33.692764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.398175877093189e-18 } }