{ "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" [ 5.42333 0 0 ] "si-unit" "m" "si-value" [ 5.423330000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] "si-unit" "m" "si-value" [ 7.07092e-12 5.40512e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] "si-unit" "m" "si-value" [ -2.03562e-13 -7.26392e-12 5.50089e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.42909e-13 2.77818e-12 -3.88963e-12 ] [ 1.35422e-10 1.36306e-10 1.38504e-10 ] [ 2.97601e-12 2.72434e-10 2.72311e-10 ] [ 1.36125e-10 4.06894e-10 4.03995e-10 ] [ 2.72846e-10 9.23744e-13 2.71344e-10 ] [ 4.08711e-10 1.36473e-10 3.96445e-10 ] [ 2.72619e-10 2.69674e-10 -1.00972e-11 ] [ 4.11061e-10 4.07011e-10 1.39355e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5904386 0.4498543 0.1496164 ] [ 0.3226369 0.076342 -1.0400982 ] [ 0.0453885 -0.0201118 -0.4251712 ] [ 0.9001407 -0.238778 0.5131455 ] [ -0.7807701 -0.1706025 -0.053156 ] [ 0.221118 -0.4960533 1.6425578 ] [ -0.0947942 0.6435046 0.7507714 ] [ -0.0232812 -0.2441553 -1.5376657 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.459869287316723e-10 7.20746048164426e-10 2.397119001431976e-10 ] [ 5.169213024461946e-10 1.22313368592828e-10 -1.666421033105459e-09 ] [ 7.272039415230899e-11 -3.222265602768119e-11 -6.811993620897408e-10 ] [ 1.442184396852404e-09 -3.82564532313252e-10 8.22149729942247e-10 ] [ -1.250931610745843e-09 -2.73335339201985e-10 -8.5165301156904e-11 ] [ 3.54270092956812e-10 -7.947650064785921e-10 2.631667727154445e-09 ] [ -1.518770522787228e-10 1.031008033991516e-09 1.202868394555467e-09 ] [ -3.730059465148079e-11 -3.911799167272602e-10 -2.463612055443254e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.73519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.885626306355046e-18 } }