{ "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" [ [ 2.912622 1.78272 1.2568 ] [ 2.727936 0.232034 3.207427 ] [ 3.003232 2.746828 4.7469 ] [ 4.479923 1.355966 2.983258 ] [ 4.230826 3.711883 2.275883 ] [ 5.441026 3.401037 4.285306 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.912622e-10 1.78272e-10 1.2568e-10 ] [ 2.727936e-10 2.32034e-11 3.207427e-10 ] [ 3.003232e-10 2.746828e-10 4.7469e-10 ] [ 4.479923e-10 1.355966e-10 2.983258e-10 ] [ 4.230826000000001e-10 3.711883e-10 2.275883e-10 ] [ 5.441026e-10 3.401037e-10 4.285306000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6133086 3.0047574 -7.8770548 ] [ -18.0031593 -14.768424 6.8781469 ] [ -0.4811888 -0.1023518 0.8014767 ] [ 19.3923474 5.4865305 -0.3083112 ] [ -1.7608704 5.0051857 -4.7829047 ] [ 3.4661797 1.3743023 5.2886472 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.186981941855579e-09 4.814152057455794e-09 -1.262043304132042e-08 ] [ -2.884424093099809e-08 -2.366162365886162e-08 1.1020006157608e-08 ] [ -7.709494455508071e-10 -1.639856610567974e-10 1.284107230855935e-09 ] [ 3.106996562671166e-08 8.790390896406134e-09 -4.93968996570793e-10 ] [ -2.821225387138744e-09 8.019191511302482e-09 -7.663058089854437e-09 ] [ 5.553432078831558e-09 2.201875014971668e-09 8.473346899499381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.762689 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.044808193434133e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.930696 1.8321095 1.1213731 ] [ 2.2029929 0.6797841 3.31871 ] [ 3.3926463 1.8741822 5.2792792 ] [ 4.8435171 1.3410497 3.0186513 ] [ 4.5700977 3.7386749 1.7239171 ] [ 4.855615 3.7646677 4.2936433 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930696e-10 1.8321095e-10 1.1213731e-10 ] [ 2.2029929e-10 6.797841000000001e-11 3.31871e-10 ] [ 3.3926463e-10 1.8741822e-10 5.279279200000001e-10 ] [ 4.8435171e-10 1.3410497e-10 3.0186513e-10 ] [ 4.5700977e-10 3.7386749e-10 1.7239171e-10 ] [ 4.855615000000001e-10 3.7646677e-10 4.293643300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 0.0 9.3e-06 ] [ 2e-07 8.7e-06 -1.1e-06 ] [ -3.6e-06 -1.2e-06 -1.8e-06 ] [ 1.17e-05 -4.2e-06 -7.2e-06 ] [ -1.4e-06 -4.1e-06 8e-07 ] [ -6e-06 7e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 0.0 1.490024257344e-14 ] [ 3.2043532416e-16 1.393893660096e-14 -1.76239428288e-15 ] [ -5.76783583488e-15 -1.92261194496e-15 -2.88391791744e-15 ] [ 1.874546646336e-14 -6.72914180736e-15 -1.153567166976e-14 ] [ -2.24304726912e-15 -6.568924145279999e-15 1.28174129664e-15 ] [ -9.6130597248e-15 1.12152363456e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -19.748298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.16402613561914e-18 } }