{ "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" [ [ -0.9626999 0.4841334 -0.5805453 ] [ -3.0012094 3.8038489 1.6061596 ] [ -1.592189 -3.7605829 -0.6604563 ] [ 0.9014074 -2.8353901 -1.2255375 ] [ -0.3497665 0.0066187 0.6392604 ] [ 2.1199577 -2.0750325 2.2053437 ] [ 2.8844997 4.3764044 -1.9842246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.542415272626498e-09 7.756672148284147e-10 -9.301361069753223e-10 ] [ -4.808467534805196e-09 6.094437776635797e-09 2.57335136039348e-09 ] [ -2.550967991694931e-09 -6.025118002960265e-09 -1.058167642920071e-09 ] [ 1.444213862096114e-09 -4.542795729067775e-09 -1.96352753041368e-09 ] [ -5.603877090390432e-10 1.060432640008896e-11 1.024208067483256e-09 ] [ 3.39654666402494e-09 -3.324568558900176e-09 3.533350116968568e-09 ] [ 4.621477982044614e-09 7.011772812846251e-09 -3.179078264536231e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.620873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.342522089628596e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5613596 2.4914805 1.9259253 ] [ 1.9792236 2.7911475 4.4141335 ] [ 1.9364543 0.2317367 4.3800985 ] [ 3.7134849 0.2519475 2.5296506 ] [ 5.1309774 2.170388 1.5848274 ] [ 4.2150909 1.4469103 4.7719346 ] [ 4.3184153 3.675199 3.489782 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5613596e-10 2.4914805e-10 1.9259253e-10 ] [ 1.9792236e-10 2.7911475e-10 4.4141335e-10 ] [ 1.9364543e-10 2.317367e-11 4.3800985e-10 ] [ 3.7134849e-10 2.519475e-11 2.5296506e-10 ] [ 5.1309774e-10 2.170388e-10 1.5848274e-10 ] [ 4.2150909e-10 1.4469103e-10 4.7719346e-10 ] [ 4.3184153e-10 3.675199e-10 3.489782e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.9e-06 -5.2e-06 1e-07 ] [ 1.96e-05 -2.9e-06 1.03e-05 ] [ -2.1e-05 -1.86e-05 -7.4e-06 ] [ -1.36e-05 -4.7e-06 9.8e-06 ] [ 1.73e-05 2.5e-06 -9.6e-06 ] [ 4e-06 1.91e-05 -7.3e-06 ] [ -9.2e-06 9.9e-06 4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.646312200320001e-15 -8.33131842816e-15 1.6021766208e-16 ] [ 3.140266176767999e-14 -4.646312200320001e-15 1.650241919424e-14 ] [ -3.36457090368e-14 -2.980048514688e-14 -1.185610699392e-14 ] [ -2.178960204288e-14 -7.53023011776e-15 1.570133088384e-14 ] [ 2.771765553984e-14 4.005441552e-15 -1.538089555968e-14 ] [ 6.4087064832e-15 3.060157345728e-14 -1.169588933184e-14 ] [ -1.474002491136e-14 1.586154854592e-14 6.4087064832e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.961949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.717603813100194e-18 } }