{ "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" [ [ 0.8210006000000002 0.13282580000000002 -1.4611604000000002 ] [ 1.1240044000000002 -0.3844740000000001 -0.9265525000000002 ] [ -0.4569252000000001 -0.25528980000000007 1.8664206000000005 ] [ -0.23797850000000006 1.1185831000000002 -0.10912630000000002 ] [ -0.7289040000000001 -4.0110543000000005 -2.8417658000000006 ] [ 1.6797035000000005 3.204527100000001 2.1198761000000004 ] [ 0.8641959000000002 -0.6327610000000001 0.07371040000000001 ] [ -3.065096800000001 0.8276431000000002 1.2785980000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.315387966982773e-09 2.128103913990567e-10 -2.341037032118777e-09 ] [ 1.800853571356332e-09 -6.159952541054593e-10 -1.484500753443793e-09 ] [ -7.320748728943643e-10 -4.090193490887079e-10 2.990335449899509e-09 ] [ -3.812835889530529e-10 1.792167691241989e-09 -1.748396065744071e-10 ] [ -1.167832947607603e-09 -6.42641742421931e-09 -4.553010726549009e-09 ] [ 2.691181677575933e-09 5.134218400340025e-09 3.396415926412683e-09 ] [ 1.384594466771215e-09 -1.013794880754029e-09 1.180970795898163e-10 ] [ -4.910826433448895e-09 1.326030425186437e-09 2.048539823001639e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.967741 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762667373318961e-18 } }