{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.8787962e-10 1.327971e-10 2.6787235e-10 ] [ 2.1604935e-10 3.1960138e-10 4.292713100000001e-10 ] [ 1.4807599e-10 3.5602997e-10 1.9275659e-10 ] [ 4.0543197e-10 1.5446193e-10 2.0203746e-10 ] [ 4.4688108e-10 2.2821883e-10 4.1409726e-10 ] [ 3.6727966e-10 3.6940507e-10 1.302763e-10 ] [ 4.0652285e-10 4.5165622e-10 3.3964024e-10 ] ] "source-value" [ [ 1.8787962 1.327971 2.6787235 ] [ 2.1604935 3.1960138 4.2927131 ] [ 1.4807599 3.5602997 1.9275659 ] [ 4.0543197 1.5446193 2.0203746 ] [ 4.4688108 2.2821883 4.1409726 ] [ 3.6727966 3.6940507 1.302763 ] [ 4.0652285 4.5165622 3.3964024 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.0817867301088e-12 -8.29414793055744e-12 -5.95593137016192e-12 ] [ 7.2642687987072e-13 7.639178127974401e-13 1.50652667653824e-12 ] [ -6.023383005897599e-12 2.53993059695424e-12 -3.668984461632e-12 ] [ 3.813180357504e-13 1.96971593761152e-12 3.99919306317888e-12 ] [ 2.68396627516416e-12 2.52855514294656e-12 4.03011507196032e-12 ] [ -3.79107032013696e-12 1.2713271486048e-12 2.4657498194112e-13 ] [ 9.10452886535808e-12 -7.794589260192001e-13 -1.5749396182464e-13 ] ] "source-value" [ [ -0.0019235 -0.0051768 -0.0037174 ] [ 0.0004534 0.0004768 0.0009403 ] [ -0.0037595 0.0015853 -0.00229 ] [ 0.000238 0.0012294 0.0024961 ] [ 0.0016752 0.0015782 0.0025154 ] [ -0.0023662 0.0007935 0.0001539 ] [ 0.0056826 -0.0004865 -9.83e-05 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.31444041956051e-18 "source-value" -14.445601 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -8.654970922974567e-09 -1.070721161375259e-08 -3.63962457505584e-09 ] [ -8.2563258277232e-09 2.791410322184615e-09 8.376774902592353e-09 ] [ -7.490309323770175e-09 2.294337589064008e-09 -2.970844010001504e-09 ] [ 4.352204323045973e-09 -4.191826923956878e-09 -4.26490940942636e-09 ] [ 9.17892513565662e-09 -3.715910292243287e-09 6.31464557771075e-09 ] [ 2.488370150031965e-09 2.398506466636224e-11 -8.755019643148734e-09 ] [ 8.382106465733387e-09 1.350521585403777e-08 4.938977157329336e-09 ] ] "source-value" [ [ -5.402008 -6.6829159 -2.271675 ] [ -5.1531933 1.7422613 5.2283717 ] [ -4.6750834 1.4320129 -1.854255 ] [ 2.7164323 -2.6163326 -2.6619471 ] [ 5.7290345 -2.3192888 3.9412918 ] [ 1.5531185 0.0149703 -5.4644535 ] [ 5.2316994 8.4292928 3.0826671 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.603851696457047e-18 "source-value" -10.010455 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] "source-value" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] } "instance-id" 1 }