{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.44227100000000014 0.0017589000000000005 2.3694168000000007 ] [ 2.7209998000000004 -1.8652934000000005 -2.6426635000000003 ] [ -1.6552667000000005 1.3315854000000003 4.0545271000000005 ] [ -10.017469800000002 -10.864782900000002 7.801695700000002 ] [ 9.262952600000002 6.501796500000002 -10.673881800000002 ] [ 1.4865568000000002 3.328031800000001 2.0674213000000004 ] [ -5.6002809000000005 -4.680083000000001 -6.493690300000002 ] [ 3.3602372000000007 6.246986700000002 3.517174900000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.085962620958142e-10 2.818068481542601e-12 3.796224233167052e-09 ] [ 4.359522300678673e-09 -2.988529501034416e-09 -4.234013711224659e-09 ] [ -2.652029629778289e-09 2.133435014055544e-09 6.496068581539782e-09 ] [ -1.604975604536066e-08 -1.740730129586276e-08 1.249969455611827e-08 ] [ 1.484088621756955e-08 1.041702643132298e-08 -1.710144401403786e-08 ] [ 2.381726570073811e-09 5.332094787168963e-09 3.312374099493905e-09 ] [ -8.972639201816491e-09 -7.498319627780622e-09 -1.040403886709245e-08 ] [ 5.383693526537586e-09 1.000877612364877e-08 5.635135442471288e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.57954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.739164783246836e-18 } }