{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6876376 -2.2648577 -10.1745712 ] [ -4.9700021 -5.5919443 7.8390551 ] [ -3.2912334 3.9592419 -0.4015517 ] [ 3.5643139 -2.4548766 -0.4550458 ] [ 6.3845592 6.3524367 3.1921136 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.703893507103022e-09 -3.62870205637886e-09 -1.6301460103305e-08 ] [ -7.962821169946905e-09 -8.959282422275822e-09 1.255955081038301e-08 ] [ -5.273137207076094e-09 6.343404808271772e-09 -6.433567457824954e-10 ] [ 5.710660399772469e-09 -3.933145895468993e-09 -7.290637421532327e-10 ] [ 1.022919148435355e-08 1.01777255658519e-08 5.114329780857723e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.1354476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.62571746126347e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.0225347 2.8489979 0.763843 ] [ 2.4474101 2.2280462 3.6971778 ] [ 2.1518796 4.2139546 2.4708551 ] [ 4.4569276 2.1165503 2.4787993 ] [ 4.443266 4.418713 2.9634609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0225347e-10 2.8489979e-10 7.638430000000001e-11 ] [ 2.4474101e-10 2.2280462e-10 3.6971778e-10 ] [ 2.1518796e-10 4.2139546e-10 2.4708551e-10 ] [ 4.4569276e-10 2.1165503e-10 2.4787993e-10 ] [ 4.443266000000001e-10 4.418713e-10 2.9634609e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 -7e-07 -1.8e-06 ] [ -8e-07 -1e-06 1.2e-06 ] [ -1.4e-06 2.3e-06 4e-07 ] [ 1.9e-06 -2.7e-06 -4e-07 ] [ 3e-07 2.1e-06 5e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 -1.12152363456e-15 -2.88391791744e-15 ] [ -1.28174129664e-15 -1.6021766208e-15 1.92261194496e-15 ] [ -2.24304726912e-15 3.68500622784e-15 6.408706483200001e-16 ] [ 3.04413557952e-15 -4.32587687616e-15 -6.408706483200001e-16 ] [ 4.8065298624e-16 3.36457090368e-15 8.010883104e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }