{ "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" [ [ -0.5656187 0.4230012 0.1468889 ] [ 0.3059559 0.0264914 -0.8891831 ] [ 0.0701365 0.0951027 -0.3392647 ] [ 0.7675167 -0.196948 0.5183363 ] [ -0.6655257 -0.1137502 -0.0209485 ] [ 0.273916 -0.4237208 1.3065727 ] [ -0.1231582 0.5033384 0.6213893 ] [ -0.0632225 -0.3135147 -1.3437908 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.06221057427289e-10 6.77722633210345e-10 2.353419614350291e-10 ] [ 4.901953899758227e-10 4.244390173226112e-11 -1.424628374430469e-09 ] [ 1.123710605647392e-10 1.523713225149562e-10 -5.435619706027257e-10 ] [ 1.229697312813568e-09 -3.155454811133184e-10 8.30466301571975e-10 ] [ -1.066289717081555e-09 -1.822479110513242e-10 -3.35631969408288e-11 ] [ 4.388618112630528e-10 -6.788755595066727e-10 2.093360233315532e-09 ] [ -1.973211886998106e-10 8.064370168308787e-10 9.955754088752776e-10 ] [ -1.01293611408528e-10 -5.023059226171258e-10 -2.152990203006129e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.85557303877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.860778167371359e-18 } }