{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.367379 0.0647346 0.1998729 ] [ 1.460848 2.942777 0.791599 ] [ 0.0818105 1.894289 1.573722 ] [ 2.191579 1.24199 2.172373 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.367379e-10 6.47346e-12 1.998729e-11 ] [ 1.460848e-10 2.942777e-10 7.915990000000001e-11 ] [ 8.18105e-12 1.894289e-10 1.573722e-10 ] [ 2.191579e-10 1.24199e-10 2.172373e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2028472 -4.0311605 -2.3566863 ] [ 19.2379362 25.3765248 -16.8700043 ] [ -28.1022868 -14.1476524 11.1905545 ] [ 9.0671979 -7.1977119 8.0361361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.249970414347418e-10 -6.458631107792438e-09 -3.775827692419655e-09 ] [ 3.082257161208199e-08 4.065767475171139e-08 -2.702872648225547e-08 ] [ -4.502482690197645e-08 -2.266703791448501e-08 1.792924479368823e-08 ] [ 1.452725249154686e-08 -1.153200572943395e-08 1.287530938098689e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.035517047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.690458234325479e-21 } "relaxed-configuration-positions" { "source-value" [ [ 1.0164913 -0.2375034 0.9170736 ] [ 1.5343285 3.3094058 1.4516646 ] [ -0.455216 1.853883 0.7513596 ] [ 3.0060127 1.2180052 1.6174692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0164913e-10 -2.375034e-11 9.170736000000001e-11 ] [ 1.5343285e-10 3.3094058e-10 1.4516646e-10 ] [ -4.55216e-11 1.853883e-10 7.513596e-11 ] [ 3.0060127e-10 1.2180052e-10 1.6174692e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.26e-05 -1.46e-05 2.7e-06 ] [ 2.45e-05 -8.5e-06 1.61e-05 ] [ -7.4e-06 -1.09e-05 -1.37e-05 ] [ 5.6e-06 3.4e-05 -5.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.620919163008e-14 -2.339177866368e-14 4.32587687616e-15 ] [ 3.92533272096e-14 -1.36185012768e-14 2.579504359488e-14 ] [ -1.185610699392e-14 -1.746372516672e-14 -2.194981970496e-14 ] [ 8.972189076479999e-15 5.44740051072e-14 -8.17110076608e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.704511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.715051726129643e-18 } }