{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.247505 0.2174365 0.42208 ] [ 0.0506875 0.0915851 2.362651 ] [ 1.429891 2.603248 1.463699 ] [ 0.6097234 2.164425 2.912732 ] [ 2.744149 0.6540612 0.6213704 ] [ 2.652131 2.68783 0.0915898 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.247505e-10 2.174365e-11 4.2208e-11 ] [ 5.068750000000001e-12 9.15851e-12 2.362651e-10 ] [ 1.429891e-10 2.603248e-10 1.463699e-10 ] [ 6.097234e-11 2.164425e-10 2.912732e-10 ] [ 2.744149e-10 6.540612e-11 6.213704e-11 ] [ 2.652131e-10 2.68783e-10 9.15898e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -47.2438585 -15.9153555 -6.5737996 ] [ -0.5078366 -1.4843786 0.2285538 ] [ 0.8147397 10.4357674 -9.8595753 ] [ -12.5831297 -6.6188884 23.1140308 ] [ 47.5885858 8.5012079 6.3249347 ] [ 11.9314993 5.0816471 -13.2341444 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.569300556508336e-08 -2.54992104938207e-08 -1.053238802894439e-08 ] [ -8.136439277065612e-10 -2.378236689335835e-09 3.661835549549991e-10 ] [ 1.305356899377606e-09 1.67199425483868e-08 -1.579678103667714e-08 ] [ -2.016039622183412e-08 -1.060462825016432e-08 3.703275976021111e-08 ] [ 7.624531958569487e-08 1.362043654594027e-08 1.013366250442666e-08 ] [ 1.911636922955157e-08 8.141696178776119e-09 -2.120343675397125e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 2.6657743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.271041259789485e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8316647 0.3736727 0.454164 ] [ 0.3286922 -0.0116271 2.6696964 ] [ 0.8990295 2.7211139 0.9400873 ] [ 0.3928154 2.2229726 3.132262 ] [ 3.1088798 0.4389256 0.1076785 ] [ 3.1730054 2.6735279 0.5702339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.316647000000001e-11 3.736727e-11 4.541640000000001e-11 ] [ 3.286922e-11 -1.16271e-12 2.6696964e-10 ] [ 8.990295e-11 2.7211139e-10 9.400873e-11 ] [ 3.928154e-11 2.2229726e-10 3.132262e-10 ] [ 3.1088798e-10 4.389256000000001e-11 1.076785e-11 ] [ 3.1730054e-10 2.6735279e-10 5.702339e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.09e-05 -5.5e-06 -5e-07 ] [ 2.7e-06 -3.3e-06 -1e-07 ] [ -1.32e-05 -1.8e-06 -1.9e-06 ] [ 1.9e-05 5.2e-06 -1.64e-05 ] [ -1.2e-06 8.9e-06 2.9e-06 ] [ 3.6e-06 -3.6e-06 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.746372516672e-14 -8.8119714144e-15 -8.010883104e-16 ] [ 4.32587687616e-15 -5.28718284864e-15 -1.6021766208e-16 ] [ -2.114873139456e-14 -2.88391791744e-15 -3.04413557952e-15 ] [ 3.04413557952e-14 8.33131842816e-15 -2.627569658112e-14 ] [ -1.92261194496e-15 1.425937192512e-14 4.646312200320001e-15 ] [ 5.76783583488e-15 -5.76783583488e-15 2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.508703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.965421122793083e-18 } }