{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.5913217e-10 4.0244634e-10 3.1660562e-10 ] [ 5.8560094e-10 2.2853353e-10 1.020376e-10 ] [ 3.4577856e-10 8.225526e-11 9.710082e-11 ] [ 2.9916914e-10 1.2752995e-10 3.5870913e-10 ] [ 5.3543585e-10 2.771275e-10 3.866313e-10 ] [ 5.077376400000001e-10 4.9520303e-10 1.9341865e-10 ] [ 3.0908621e-10 3.5316644e-10 3.212557e-11 ] ] "source-value" [ [ 2.5913217 4.0244634 3.1660562 ] [ 5.8560094 2.2853353 1.020376 ] [ 3.4577856 0.8225526 0.9710082 ] [ 2.9916914 1.2752995 3.5870913 ] [ 5.3543585 2.771275 3.866313 ] [ 5.0773764 4.9520303 1.9341865 ] [ 3.0908621 3.5316644 0.3212557 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.317966510036288e-11 -2.71216458369024e-12 -3.8948913651648e-12 ] [ 1.511926011750336e-11 -1.486403338180992e-11 4.693255975309441e-12 ] [ -3.69397841691648e-12 5.79218891951616e-12 -4.98180798471552e-12 ] [ 8.542805742105599e-13 -1.095856765094784e-11 8.631726544560002e-12 ] [ -6.54104627207808e-12 1.189568075645376e-11 -2.03748800867136e-12 ] [ -5.34181707140928e-12 1.3722642757152e-12 4.54152984931968e-12 ] [ -1.357652424933504e-11 9.474791882424959e-12 -6.95232501063744e-12 ] ] "source-value" [ [ 0.0082261 -0.0016928 -0.002431 ] [ 0.0094367 -0.0092774 0.0029293 ] [ -0.0023056 0.0036152 -0.0031094 ] [ 0.0005332 -0.0068398 0.0053875 ] [ -0.0040826 0.0074247 -0.0012717 ] [ -0.0033341 0.0008565 0.0028346 ] [ -0.0084738 0.0059137 -0.0043393 ] ] } "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" -3.093114919906167e-18 "source-value" -19.305705 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.153453207733864e-08 4.858434761273982e-08 -8.731385615379989e-09 ] [ 5.907369284633108e-08 -2.24632940803654e-08 -1.446870014585141e-08 ] [ -1.519735965884322e-08 -1.345446626870328e-08 2.751053255500946e-09 ] [ -3.149507195059684e-08 -6.388981910581902e-08 1.32669548870173e-09 ] [ 5.303236594293352e-08 2.365971065997639e-10 1.718576610826e-08 ] [ 1.822571844496054e-08 4.109750203460614e-08 1.243719883034133e-08 ] [ -4.21048137076641e-08 9.889132700941994e-09 -1.050062792157261e-08 ] ] "source-value" [ [ -25.9238161 30.3239649 -5.4497023 ] [ 36.8708993 -14.0204855 -9.0306524 ] [ -9.4854459 -8.3976174 1.7170724 ] [ -19.6576779 -39.8768889 0.8280582 ] [ 33.1001996 0.1476723 10.7265116 ] [ 11.3755988 25.6510434 7.762689 ] [ -26.2797579 6.1723112 -6.5539765 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.963711300072086e-18 "source-value" 12.256522 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.975716e-10 3.919e-10 3.294603e-10 ] [ 5.229011e-10 2.380728e-10 1.260294e-10 ] [ 3.72512e-10 5.184044e-11 8.589665e-11 ] [ 3.151330000000001e-10 1.64182e-10 3.064405e-10 ] [ 5.039876e-10 3.004083e-10 3.766304e-10 ] [ 5.090657000000001e-10 4.730463000000001e-10 1.850516e-10 ] [ 3.207695e-10 3.468122e-10 7.711985e-11 ] ] "source-value" [ [ 2.975716 3.919 3.294603 ] [ 5.229011 2.380728 1.260294 ] [ 3.72512 0.5184044 0.8589665 ] [ 3.15133 1.64182 3.064405 ] [ 5.039876 3.004083 3.766304 ] [ 5.090657 4.730463 1.850516 ] [ 3.207695 3.468122 0.7711985 ] ] } "instance-id" 1 }