{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "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" [ [ -2.673266298819809e-09 -1.830850643574584e-09 -1.966886814134511e-09 ] [ 3.766422755437897e-09 2.185065458519221e-09 2.792744134221431e-09 ] [ -1.962119697816983e-09 2.810257366645734e-09 -2.802200340855055e-09 ] [ -8.331672509193197e-10 2.825252618292787e-10 7.829047272775546e-10 ] [ -1.982865802226736e-09 -1.846799991399323e-09 -5.388284519289356e-09 ] [ 4.141442795109594e-09 -8.894249592584562e-10 -1.566051062789526e-09 ] [ -1.928698293507095e-09 1.206647278423104e-09 5.893243486172864e-09 ] [ 1.472251792742452e-09 -1.917419610967312e-09 2.254530389396598e-09 ] ] "source-value" [ [ -1.6685216 -1.1427271 -1.2276342 ] [ 2.3508162 1.3638106 1.7430938 ] [ -1.2246588 1.7540247 -1.7489959 ] [ -0.5200221 0.1763384 0.4886507 ] [ -1.2376075 -1.1526819 -3.3631027 ] [ 2.5848853 -0.5551354 -0.9774522 ] [ -1.2037988 0.75313 3.6782733 ] [ 0.9189073 -1.1967592 1.4071672 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.68854507522258e-18 "source-value" -35.505106 } }