{ "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" [ 5.40884 0 0 ] "si-unit" "m" "si-value" [ 5.40884e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0760511 5.4684 0 ] "si-unit" "m" "si-value" [ 7.60511e-12 5.4684e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0640574 0.226818 5.41063 ] "si-unit" "m" "si-value" [ 6.40574e-12 2.26818e-11 5.41063e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00830896 0.0131794 0.144184 ] [ 1.38941 1.30499 1.31845 ] [ 0.000666759 2.66681 2.72971 ] [ 1.38566 4.09949 4.22322 ] [ 2.74889 -0.0321093 2.66684 ] [ 4.05308 1.21875 4.179 ] [ 2.6535 2.74282 -0.0977168 ] [ 4.21539 3.9917 1.44444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.308960000000001e-13 1.31794e-12 1.44184e-11 ] [ 1.38941e-10 1.30499e-10 1.31845e-10 ] [ 6.667589999999999e-14 2.66681e-10 2.72971e-10 ] [ 1.38566e-10 4.099490000000001e-10 4.223220000000001e-10 ] [ 2.74889e-10 -3.21093e-12 2.66684e-10 ] [ 4.05308e-10 1.21875e-10 4.179e-10 ] [ 2.6535e-10 2.74282e-10 -9.771680000000001e-12 ] [ 4.21539e-10 3.9917e-10 1.44444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5063535 -2.3468148 -0.202975 ] [ 0.1526858 1.1511976 0.6567392 ] [ 1.1700544 -0.8510989 1.4589645 ] [ -1.704642 2.1328022 -2.8438678 ] [ -0.4433457 -0.8496167 1.0757121 ] [ -0.6778512 2.4006417 -1.3789267 ] [ 2.6894251 -2.3788354 2.5719296 ] [ -1.6926799 0.7417243 -1.3375759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.112677395602529e-10 -3.760011805907429e-09 -3.2520179960688e-10 ] [ 2.446296190881447e-10 1.84442188064107e-09 1.052212192202895e-09 ] [ 1.874633804744172e-09 -1.363610759568597e-09 2.337518812477162e-09 ] [ -2.731137559233754e-09 3.417125821630806e-09 -4.55637850180593e-09 ] [ -7.103181154722106e-10 -1.361236013381247e-09 1.723480777331672e-09 ] [ -1.086037345021225e-09 3.846252006657568e-09 -2.209284120536895e-09 ] [ 4.308934018612702e-09 -3.811314462611416e-09 4.120685475463495e-09 ] [ -2.711972162278082e-09 1.188373332539246e-09 -2.143032835525519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.357649 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.42187259030525e-18 } }