{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5580678 0.1620629 2.0411439 ] [ -0.2218725 -0.6265215 -0.2338246 ] [ 1.5238954 1.64563 0.6182449 ] [ -1.7955835 0.8511318 -3.6458509 ] [ -0.039702 -0.0564685 -0.4077538 ] [ -2.3299246 0.8904571 -0.5614108 ] [ 3.3524371 -2.4417494 1.7289014 ] [ -2.0473177 -0.4245424 0.4605498 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.496299823347785e-09 2.596533916182786e-10 3.270273063211632e-09 ] [ -3.554789352271649e-10 -1.003798107998631e-09 -3.746283105743964e-10 ] [ 2.441549602540083e-09 2.636589934209419e-09 9.905375328696665e-10 ] [ -2.876841928095939e-09 1.363663482414361e-09 -5.841297123027871e-09 ] [ -6.360961672306799e-11 -9.047251125702899e-11 -6.532936107847092e-10 ] [ -3.732950753101796e-09 1.426669559199401e-09 -8.994792658352471e-10 ] [ 5.371196388574721e-09 -3.91211383476352e-09 2.770005425569888e-09 ] [ -3.280164581314621e-09 -6.801919134222815e-10 7.378821283533731e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.943529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.758788230730138e-18 } }