{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1562063 -0.1956713 0.9629832 ] [ 0.0313264 0.5686177 -0.1880733 ] [ 0.6875225 -0.6663278 -0.5132651 ] [ -0.1045351 0.6790413 -0.0337591 ] [ -1.6309121 -0.355556 1.2979347 ] [ -0.6627356 -0.3067591 -0.4960298 ] [ 0.5231275 0.2766552 -1.0297906 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.852446717943594e-09 -3.134999848044042e-10 1.542869181974549e-09 ] [ 5.019042610733759e-11 9.110259926188217e-10 -3.013266467392721e-10 ] [ 1.101532484849265e-09 -1.067574831744625e-09 -8.223413502676734e-10 ] [ -1.674836946528534e-10 1.087944104380984e-09 -5.408804120486939e-11 ] [ -2.613009258727871e-09 -5.696635152785039e-10 2.0795206487978e-09 ] [ -1.06181949283997e-09 -4.914822622868694e-10 -7.947273553276932e-10 ] [ 8.381426571028349e-10 4.432504971145968e-10 -1.64990643723284e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.83354 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177683435750435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2458102 1.9167907 1.9629316 ] [ 2.3101611 2.9700604 4.1447254 ] [ 2.0183661 0.6138311 3.9447244 ] [ 4.0169679 0.3208887 2.6811254 ] [ 4.5598499 2.4184499 1.6871348 ] [ 4.0813072 1.3741655 4.8629199 ] [ 4.6225435 3.4446233 3.8127905 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2458102e-10 1.9167907e-10 1.9629316e-10 ] [ 2.3101611e-10 2.9700604e-10 4.1447254e-10 ] [ 2.0183661e-10 6.138311e-11 3.9447244e-10 ] [ 4.0169679e-10 3.208887e-11 2.6811254e-10 ] [ 4.5598499e-10 2.4184499e-10 1.6871348e-10 ] [ 4.081307200000001e-10 1.3741655e-10 4.8629199e-10 ] [ 4.6225435e-10 3.4446233e-10 3.8127905e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -1.14e-05 7.4e-06 ] [ -2.02e-05 -1.8e-05 -4.4e-06 ] [ -1.33e-05 3.19e-05 -4.8e-06 ] [ 5.1e-06 -6.8e-06 -1.2e-06 ] [ 1.1e-06 2.7e-06 2.6e-06 ] [ 1.72e-05 -1.55e-05 2e-07 ] [ 1.24e-05 1.72e-05 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.685006258199999e-15 -1.82648136276e-14 1.18561070916e-14 ] [ -3.236396800679999e-14 -2.8839179412e-14 -7.0495771896e-15 ] [ -2.13089492322e-14 5.11094346246e-14 -7.690447843199998e-15 ] [ 8.1711008334e-15 -1.08948011112e-14 -1.9226119608e-15 ] [ 1.7623942974e-15 4.3258769118e-15 4.165659248399999e-15 ] [ 2.75574381048e-14 -2.4833737827e-14 3.204353268e-16 ] [ 1.98669902616e-14 2.75574381048e-14 3.204353268e-16 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }