{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.883808 -26.9570309 4.791929 ] [ -4.6470717 3.6612526 -12.0750002 ] [ -6.8181017 1.3913808 11.6495782 ] [ 13.5273129 25.1659845 -4.9987855 ] [ 1.3297087 -5.7218315 3.8075915 ] [ 5.3229744 0.8706597 -1.7647579 ] [ 3.1689853 1.5895848 -1.4105551 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.903995950054227e-08 -4.318992502999598e-08 7.677516675586984e-09 ] [ -7.445429694262657e-09 5.865973366891748e-09 -1.934628317598533e-08 ] [ -1.092380323197567e-08 2.229237806756227e-09 1.866468198799578e-08 ] [ 2.167314464918678e-08 4.032035233750617e-08 -8.008937326478006e-09 ] [ 2.130428209166516e-09 -9.16738473298517e-09 6.100434133117011e-09 ] [ 8.528345207060168e-09 1.39495062750545e-09 -2.827453872046908e-09 ] [ 5.077274201149479e-09 2.546795624321563e-09 -2.259958422189533e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.6408749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.544638449609708e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7589111 0.4109292 2.497806 ] [ 1.1936691 2.3929099 2.7103989 ] [ 1.7196043 2.6855945 5.103965 ] [ 3.5814257 2.8812578 2.0150098 ] [ 2.8137704 0.4745123 5.0308621 ] [ 4.8362095 1.3954345 3.8122296 ] [ 3.8757578 3.6640485 4.4075036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7589111e-10 4.109292e-11 2.497806e-10 ] [ 1.1936691e-10 2.3929099e-10 2.7103989e-10 ] [ 1.7196043e-10 2.6855945e-10 5.103964999999999e-10 ] [ 3.5814257e-10 2.8812578e-10 2.0150098e-10 ] [ 2.8137704e-10 4.745123e-11 5.0308621e-10 ] [ 4.8362095e-10 1.3954345e-10 3.812229600000001e-10 ] [ 3.8757578e-10 3.6640485e-10 4.4075036e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -2.5e-06 -1.38e-05 ] [ 2.07e-05 3.1e-06 9.4e-06 ] [ -7.1e-06 2.7e-06 2e-06 ] [ -5.2e-06 -1.66e-05 -6e-07 ] [ -6.2e-06 3.9e-06 3.6e-06 ] [ 9.7e-06 1.72e-05 -5.9e-06 ] [ -4.6e-06 -7.9e-06 5.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15356717648e-14 -4.005441585e-15 -2.21100375492e-14 ] [ 3.316505632379999e-14 4.9667475654e-15 1.50604603596e-14 ] [ -1.13754541014e-14 4.3258769118e-15 3.204353268e-15 ] [ -8.331318496799998e-15 -2.65961321244e-14 -9.613059803999998e-16 ] [ -9.9334951308e-15 6.248488872599999e-15 5.767835882399999e-15 ] [ 1.55411133498e-14 2.75574381048e-14 -9.452842140600001e-15 ] [ -7.370012516399999e-15 -1.26571954086e-14 8.331318496799998e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759062264992e-18 } }