{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8704521000000002 0.26247870000000006 -1.5534517000000005 ] [ 1.3635620000000002 -0.5585740000000001 -1.0541959000000003 ] [ -0.37148780000000003 0.040366400000000004 1.7714710000000005 ] [ -0.21401230000000004 0.9971213000000002 0.05935960000000001 ] [ -3.681689700000001 -5.249508400000001 -4.3799074000000005 ] [ 3.934694000000001 4.920715000000001 4.3306846000000006 ] [ 0.4959947000000001 -0.43918800000000013 0.15335260000000003 ] [ -2.3975130000000004 0.026589200000000007 0.6726872000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.394618004146264e-09 4.205372365979771e-10 -2.488903995282016e-09 ] [ 2.18466715741129e-09 -8.949342037867394e-10 -1.689008024723215e-09 ] [ -5.951890680724263e-10 6.467410234586113e-11 2.838209420625198e-09 ] [ -3.42885503623636e-10 1.597564434961703e-09 9.51045633400397e-11 ] [ -5.898717162380168e-09 -8.410639629173217e-09 -7.017385237548915e-09 ] [ 6.304074736802037e-09 7.883854530619873e-09 6.938521618178601e-09 ] [ 7.9467111238071e-10 -7.036567457359106e-10 2.456979504588941e-10 ] [ -3.841239276664071e-09 4.260059460577538e-11 1.077763704951414e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.538427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.693883687940749e-18 } }