{ "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" [ 5.46879 0 0 ] "si-unit" "m" "si-value" [ 5.468790000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.164352 5.45396 0 ] "si-unit" "m" "si-value" [ -1.64352e-11 5.453960000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.164037 0.0480481 5.25114 ] "si-unit" "m" "si-value" [ -1.64037e-11 4.804810000000001e-12 5.251140000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.110213 -0.12035 -0.0596546 ] [ 1.31419 1.39201 1.41434 ] [ -0.168287 2.6382 2.797 ] [ 1.3034 4.08885 4.02601 ] [ 2.55869 -0.0573607 2.7167 ] [ 3.95328 1.36182 4.12861 ] [ 2.72846 2.73806 0.151815 ] [ 4.07331 4.0714 1.3741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.10213e-11 -1.2035e-11 -5.96546e-12 ] [ 1.31419e-10 1.39201e-10 1.41434e-10 ] [ -1.68287e-11 2.6382e-10 2.797e-10 ] [ 1.3034e-10 4.08885e-10 4.02601e-10 ] [ 2.55869e-10 -5.736070000000001e-12 2.7167e-10 ] [ 3.95328e-10 1.36182e-10 4.12861e-10 ] [ 2.72846e-10 2.73806e-10 1.51815e-11 ] [ 4.07331e-10 4.0714e-10 1.3741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.105266600000001 -0.06861240000000002 -0.8847920000000002 ] [ 1.0144217000000002 0.5421900000000001 0.8757447000000003 ] [ -0.5714099000000001 -0.5935426000000001 0.3062905000000001 ] [ 2.4991678000000004 0.7468870000000001 -1.0682616000000003 ] [ -2.5456002000000004 -0.8547298000000002 1.3213040000000003 ] [ 1.5081142000000005 -0.6254919000000001 1.0745926000000001 ] [ -0.09465510000000003 0.7604251000000002 0.11898410000000002 ] [ 1.2952282000000002 0.09287460000000002 -1.7438624000000005 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.975185588860626e-09 -1.099291840826616e-10 -1.417593068350128e-09 ] [ 1.625282744762558e-09 8.6868414918846e-10 1.40309769568934e-09 ] [ -9.154995902162766e-10 -9.509600850036084e-10 4.907314823161771e-10 ] [ 4.004108253605185e-09 1.196644899638358e-09 -1.711543774519455e-09 ] [ -4.078501159945727e-09 -1.369428113943493e-09 2.116962395210736e-09 ] [ 2.416265332643604e-09 -1.002148506936265e-09 1.721687154789309e-09 ] [ -1.516541895089334e-10 1.218335327127114e-09 1.906335448375194e-10 ] [ 2.075184357737879e-09 1.488015140120964e-10 -2.793975590191162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.29543660156247853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.733416198517709e-20 } }